UCSF

ZINC43707658

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -0.65 4.31 -99.65 3 5 2 51 243.351 2
Hi High (pH 8-9.5) -0.65 2.95 -45.45 2 5 1 46 242.343 2

Activity (Go SEA)

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