UCSF

ZINC05214551

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 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) 4.04 4.19 -10.7 2 6 0 84 356.403 4
Mid Mid (pH 6-8) 3.55 4.05 -42.61 1 6 -1 83 355.395 5

Activity (Go SEA)

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