UCSF

ZINC41680240

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 13 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) -0.62 3.06 -92.93 4 4 2 52 189.303 6
Mid Mid (pH 6-8) -0.62 2.67 -37.71 3 4 1 51 188.295 6

Activity (Go SEA)

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