UCSF

ZINC44466564

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 10 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) -0.54 -3.27 -39.85 5 3 1 68 148.226 6
Hi High (pH 8-9.5) -0.54 -3.66 -5.78 4 3 0 66 147.218 6

Activity (Go SEA)

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