UCSF

ZINC34680939

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 37 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) 3.71 10.74 -18.23 1 8 0 84 512.488 5
Mid Mid (pH 6-8) 3.71 11.06 -51.76 2 8 1 85 513.496 5

Activity (Go SEA)

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