UCSF

ZINC05081428

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 25 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) 3.73 12.95 -17.27 0 7 0 89 353.769 3
Mid Mid (pH 6-8) 3.74 14.32 -57.33 2 7 1 93 354.777 3

Activity (Go SEA)

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