UCSF

ZINC34659277

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 2.64 6.08 -36.49 3 4 1 55 330.246 7
Hi High (pH 8-9.5) 2.64 4.63 -9.93 2 4 0 50 329.238 7

Activity (Go SEA)

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