UCSF

ZINC41679285

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.67 8.73 -56.7 0 6 -1 84 275.284 6
Mid Mid (pH 6-8) 1.67 9.18 -57.17 1 6 0 86 276.292 6

Activity (Go SEA)

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