UCSF

ZINC04158109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 6.48 1.46 -6.99 1 3 0 29 355.913 4
Mid Mid (pH 6-8) 6.48 1.64 -24.65 2 3 1 30 356.921 4

Activity (Go SEA)

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