UCSF

ZINC05794010

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 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) 3.75 8.47 -8.48 1 3 0 32 262.397 7
Mid Mid (pH 6-8) 3.75 8.56 -26.75 2 3 0 34 263.405 7

Activity (Go SEA)

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