UCSF

ZINC59566147

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 19 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) 2.31 8.29 -54.55 3 1 1 28 262.323 3
Hi High (pH 8-9.5) 2.31 7.98 -5.89 2 1 0 26 261.315 3

Activity (Go SEA)

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