UCSF

ZINC40751411

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) -0.19 1.49 -19.97 2 6 0 78 263.297 6
Mid Mid (pH 6-8) -0.19 1.78 -34.01 3 6 1 79 264.305 6

Activity (Go SEA)

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