UCSF

ZINC19903725

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 3.81 8.24 -6.05 1 2 0 25 268.747 3
Mid Mid (pH 6-8) 3.81 8.73 -32.5 2 2 1 26 269.755 3

Activity (Go SEA)

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