UCSF

ZINC08490848

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2006 28 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) 2.34 5.19 -16.16 3 7 0 100 376.416 5
Mid Mid (pH 6-8) 2.34 5.64 -37.38 4 7 1 101 377.424 5

Activity (Go SEA)

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