UCSF

ZINC05649439

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 14 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) 1.30 0.1 -6.59 2 5 0 75 198.222 3
Mid Mid (pH 6-8) 0.60 -1.65 -35.66 1 5 -1 82 197.214 3
Mid Mid (pH 6-8) 1.15 -1.67 -35.66 1 5 -1 82 197.214 3

Activity (Go SEA)

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