UCSF

ZINC42436273

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 No

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) -0.72 -1.8 -69.89 2 7 1 99 276.338 6
Mid Mid (pH 6-8) -0.72 -2.95 -17.95 1 7 0 94 275.33 6

Activity (Go SEA)

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