UCSF

ZINC06117363

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 13 No

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) -0.10 1.39 -49.38 4 4 1 68 179.199 0
Hi High (pH 8-9.5) -0.10 2.11 -62.9 2 4 -1 69 177.183 0
Mid Mid (pH 6-8) -0.10 1.06 -8.54 3 4 0 67 178.191 0
Mid Mid (pH 6-8) -0.10 2.43 -69.29 3 4 0 71 178.191 0

Activity (Go SEA)

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