UCSF

ZINC43408295

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.71 8.05 -42.81 4 4 1 55 307.487 6
Mid Mid (pH 6-8) 2.71 8.37 -90.19 5 4 2 57 308.495 6

Activity (Go SEA)

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