UCSF

ZINC42598299

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 1.85 3.67 -6.85 4 4 0 72 249.358 5
Lo Low (pH 4.5-6) 1.85 3.05 -26.85 5 4 1 74 250.366 5

Activity (Go SEA)

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