UCSF

ZINC04381620

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 25 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) 6.42 11.55 -9.6 1 3 0 29 355.913 5
Mid Mid (pH 6-8) 6.42 11.98 -28.46 2 3 1 31 356.921 5

Activity (Go SEA)

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