UCSF

ZINC42775507

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 2.61 8.3 -32.25 1 4 1 40 280.388 8
Mid Mid (pH 6-8) 2.61 6.83 -9.09 0 4 0 39 279.38 8

Activity (Go SEA)

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