UCSF

ZINC49753498

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 15 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) 0.38 0.98 -37.31 3 5 1 71 220.289 10
Mid Mid (pH 6-8) 0.38 -1.15 -9.89 2 5 0 70 219.281 10

Activity (Go SEA)

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