UCSF

ZINC36964990

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 Yes

Popular Name: 7-chloro-2-[(cyclopropylmethylamino)methyl]-3H-quinazolin-4-one 7-chloro-2-[(cyclopropylmethylam…

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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) 2.17 4.64 -7.26 2 4 0 58 263.728 4 ↓
Mid Mid (pH 6-8) 2.17 5.53 -56.83 3 4 1 62 264.736 4 ↓

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

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