UCSF

ZINC08490852

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 3.64 7.9 -15.65 3 6 0 87 400.482 5
Mid Mid (pH 6-8) 3.64 8.34 -36.54 4 6 1 88 401.49 5

Activity (Go SEA)

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