UCSF

ZINC65492732

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 29 Yes

Popular Name: (2S)-2-[3-[(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methyl]indol-1-yl]propan (2S)-2-[3-[(2,3-dimethyl-4-oxo-5…

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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) 1.48 12.13 -56.21 1 7 0 84 394.475 4 ↓
Mid Mid (pH 6-8) 1.48 10.15 -54.07 0 7 -1 83 393.467 4 ↓

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

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