UCSF

ZINC36885700

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) -0.07 6.63 -44.55 3 6 0 101 277.324 6
Mid Mid (pH 6-8) -0.07 6.19 -61.02 2 6 -1 99 276.316 6

Activity (Go SEA)

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