UCSF

ZINC69670390

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 21 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) 3.49 7.31 -44.43 2 3 1 35 294.321 7
Mid Mid (pH 6-8) 3.49 5.95 -5.84 1 3 0 30 293.313 7

Activity (Go SEA)

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