UCSF

ZINC42826169

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) -1.56 4.03 -69.12 4 8 0 120 296.327 6
Mid Mid (pH 6-8) -1.56 3.51 -55.83 3 8 -1 119 295.319 6

Activity (Go SEA)

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