UCSF

ZINC70106849

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 20 Yes

Popular Name: 2-[[[(1R)-1-(cyclopropylmethyl)propyl]amino]methyl]-3H-quinazolin-4-one 2-[[[(1R)-1-(cyclopropylmethyl)p…

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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) 2.65 7.44 -49.96 3 4 1 62 272.372 6 ↓
Hi High (pH 8-9.5) 2.65 6.43 -8.64 2 4 0 58 271.364 6 ↓
Hi High (pH 8-9.5) 3.11 4.87 -43.56 2 4 0 65 271.364 6 ↓

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

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