UCSF

ZINC41656191

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 3.17 7.17 -52.4 0 4 -1 62 256.281 2
Mid Mid (pH 6-8) 3.17 7.53 -44.75 1 4 0 63 257.289 2

Activity (Go SEA)

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