UCSF

ZINC43407078

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 13 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) -0.42 0.75 -31.03 5 4 1 84 178.215 1
Hi High (pH 8-9.5) -0.42 1.44 -15.14 4 4 0 83 177.207 1

Activity (Go SEA)

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