UCSF

ZINC71498750

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 26 Yes

Popular Name: (3S)-4-(cyclopropylmethyl)-1-[(3,4-dimethoxy-2-pyridyl)methyl]-3-isopropyl-1,4-diazepan-5-one (3S)-4-(cyclopropylmethyl)-1-[(3…

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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) 2.21 6.83 -10.82 0 6 0 55 361.486 7 ↓
Mid Mid (pH 6-8) 2.21 6.97 -40.54 1 6 1 56 362.494 7 ↓
Mid Mid (pH 6-8) 2.21 8.42 -41.92 1 6 1 56 362.494 7 ↓

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

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