UCSF

ZINC70306570

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 20 Yes

Popular Name: 2-[[[(1R)-1-cyclopentylethyl]amino]methyl]-3H-quinazolin-4-one 2-[[[(1R)-1-cyclopentylethyl]ami…

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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) 2.76 5.86 -8.45 2 4 0 58 271.364 4 ↓
Hi High (pH 8-9.5) 3.22 4.41 -43.66 2 4 0 65 271.364 4 ↓
Mid Mid (pH 6-8) 2.76 6.98 -49.79 3 4 1 62 272.372 4 ↓

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

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