UCSF

ZINC34141651

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 22 No

CAS Number: 109904-27-0

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) 3.26 8.24 -10.04 0 4 0 47 337.828 4
Mid Mid (pH 6-8) 3.26 9.75 -46.11 1 4 1 48 338.836 4

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