UCSF

ZINC51355113

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 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) -1.20 -0.61 -46.1 6 5 1 96 209.273 5
Mid Mid (pH 6-8) -1.20 -0.29 -89.78 7 5 2 97 210.281 5

Activity (Go SEA)

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