UCSF

ZINC44726350

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 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) -0.06 5.06 -49.77 0 6 -1 76 259.307 9
Mid Mid (pH 6-8) -0.06 5.55 -46.89 1 6 0 78 260.315 9

Activity (Go SEA)

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