UCSF

ZINC42259748

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 21 Yes

Popular Name: 7-chloro-2-[(2-imidazol-1-ylethylamino)methyl]-3H-quinazolin-4-one 7-chloro-2-[(2-imidazol-1-ylethy…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 6.19 -40.88 3 6 1 77 304.761 5 ↓
Hi High (pH 8-9.5) 0.98 5.68 -12.77 2 6 0 76 303.753 5 ↓
Hi High (pH 8-9.5) 1.44 3.12 -42.99 1 6 -1 79 302.745 5 ↓
Mid Mid (pH 6-8) 0.98 7.55 -122.67 4 6 2 81 305.769 5 ↓
Mid Mid (pH 6-8) 1.44 4.47 -53.11 2 6 0 83 303.753 5 ↓
Mid Mid (pH 6-8) 0.98 7.03 -66.39 3 6 1 80 304.761 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.