UCSF

ZINC05929516

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 30 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) 5.60 11.84 -65.57 1 6 -1 90 420.514 6
Mid Mid (pH 6-8) 4.74 10.98 -152.46 0 6 -2 93 419.506 7

Activity (Go SEA)

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