UCSF

ZINC05107224

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 31 Yes

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) 4.65 12.41 -51.8 2 5 1 46 416.545 6
Mid Mid (pH 6-8) 4.65 10.19 -10.72 1 5 0 45 415.537 6

Activity (Go SEA)

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