UCSF

ZINC34994283

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 4.94 8.65 -37.79 2 2 1 20 281.508 7
Mid Mid (pH 6-8) 4.94 10.79 -117.05 3 2 2 21 282.516 7

Activity (Go SEA)

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