UCSF

ZINC34830884

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 2.80 9.56 -20.06 0 8 0 71 473.577 6
Mid Mid (pH 6-8) 2.80 11.8 -57.9 1 8 1 72 474.585 6

Activity (Go SEA)

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