UCSF

ZINC34560711

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 34 Yes

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) 5.18 14.69 -55.11 2 5 1 54 475.012 7
Mid Mid (pH 6-8) 5.18 12.48 -19.41 1 5 0 53 474.004 7

Activity (Go SEA)

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