UCSF

ZINC45698464

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 13 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) -0.07 2.82 -95.72 4 4 2 50 189.303 7
Hi High (pH 8-9.5) -0.07 1.46 -39.39 3 4 1 46 188.295 7

Activity (Go SEA)

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