UCSF

ZINC13125795

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 19 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) 1.84 1.98 -8.97 3 5 0 86 254.245 1
Mid Mid (pH 6-8) 2.30 -0.84 -48.07 2 5 -1 89 253.237 1
Mid Mid (pH 6-8) 2.29 0.11 -48.84 2 5 -1 89 253.237 1

Activity (Go SEA)

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