UCSF

ZINC48251599

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 22 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) 0.94 5.98 -41.71 1 6 1 52 307.37 4
Hi High (pH 8-9.5) 0.94 4.04 -11.31 0 6 0 51 306.362 4

Activity (Go SEA)

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