UCSF

ZINC08389284

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 25 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) 3.64 9.1 -13 1 5 0 69 337.375 5
Mid Mid (pH 6-8) 3.71 7.77 -41.9 2 5 1 74 338.383 5

Activity (Go SEA)

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