UCSF

ZINC44630076

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 3.41 8.01 -131.56 0 4 -2 72 282.342 12
Mid Mid (pH 6-8) 3.41 6.85 -42.43 1 4 -1 70 283.35 12

Activity (Go SEA)

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