UCSF

ZINC34826253

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 8.54 9.76 -11.45 4 4 0 81 468.593 6
Mid Mid (pH 6-8) 8.54 10.55 -47.49 3 4 -1 84 467.585 6

Activity (Go SEA)

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