UCSF

ZINC37869672

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 15 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) 0.82 1.37 -36.97 4 4 1 69 209.269 5
Mid Mid (pH 6-8) 0.82 0.25 -6.9 3 4 0 64 208.261 5

Activity (Go SEA)

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