UCSF

ZINC58323779

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 19 Yes

Popular Name: 2-[(1S)-1-[cyclopropylmethyl(methyl)amino]ethyl]-3H-quinazolin-4-one 2-[(1S)-1-[cyclopropylmethyl(met…

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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) 2.32 5.69 -8.39 1 4 0 49 257.337 4 ↓
Mid Mid (pH 6-8) 2.78 5.17 -43.1 1 4 0 53 257.337 4 ↓
Mid Mid (pH 6-8) 2.32 7.82 -43.08 2 4 1 50 258.345 4 ↓

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

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