UCSF

ZINC04713073

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 24 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) 5.84 12.56 -8.55 1 2 0 29 310.4 3
Mid Mid (pH 6-8) 5.84 13.02 -25.15 2 2 1 30 311.408 3

Activity (Go SEA)

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