UCSF

ZINC43427525

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 -2.27 -39.98 5 6 1 100 242.299 3
Hi High (pH 8-9.5) -0.52 -2.59 -10.66 4 6 0 99 241.291 3

Activity (Go SEA)

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