UCSF

ZINC05007960

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 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) -0.05 -1.32 -27.34 4 6 0 99 190.199 6
Hi High (pH 8-9.5) -0.05 1.1 -117.53 2 6 -2 104 188.183 6
Hi High (pH 8-9.5) -0.05 -0.11 -68.13 3 6 -1 101 189.191 6

Activity (Go SEA)

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