UCSF

ZINC19425239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 10 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) 0.11 2.44 -99.75 5 3 2 56 143.234 3
Mid Mid (pH 6-8) -2.81 2.44 -27.48 5 3 1 56 142.226 3

Activity (Go SEA)

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