UCSF

ZINC49932684

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 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) -0.27 3.92 -10 0 5 0 50 214.265 3
Mid Mid (pH 6-8) -0.27 5.5 -40.14 1 5 1 51 215.273 3

Activity (Go SEA)

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