UCSF

ZINC43231782

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) -0.58 -0.61 -52.79 4 5 1 69 241.359 7
Lo Low (pH 4.5-6) -0.58 1.12 -124.91 5 5 2 70 242.367 7

Activity (Go SEA)

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