UCSF

ZINC45629531

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 13 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) 2.55 5.51 -4.19 1 2 0 36 178.279 4
Mid Mid (pH 6-8) 2.55 6.48 -47.09 2 2 1 40 179.287 4

Activity (Go SEA)

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