UCSF

ZINC58086682

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2011 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) 2.59 6.79 -31.84 1 3 1 17 249.378 5
Hi High (pH 8-9.5) 2.59 4.58 -4.15 0 3 0 16 248.37 5

Activity (Go SEA)

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