UCSF

ZINC41381167

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 3.16 7.54 -12.21 2 4 0 53 265.316 3
Mid Mid (pH 6-8) 3.16 7.51 -22.84 3 4 1 54 266.324 3

Activity (Go SEA)

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