UCSF

ZINC05379852

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 32 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) 8.36 15.1 -26.73 3 3 1 50 425.596 5
Mid Mid (pH 6-8) 8.36 14.53 -8.48 2 3 0 49 424.588 5

Activity (Go SEA)

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