UCSF

ZINC43427524

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) -0.52 -2.08 -40.49 5 6 1 100 242.299 3
Hi High (pH 8-9.5) -0.52 -2.41 -10.84 4 6 0 99 241.291 3

Activity (Go SEA)

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