UCSF

ZINC35819574

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 24 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) -0.46 1.68 -15.14 1 8 0 88 335.408 8
Mid Mid (pH 6-8) -0.46 3.95 -48.79 2 8 1 89 336.416 8

Activity (Go SEA)

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