UCSF

ZINC04158046

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 26 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) 5.79 2.42 -10.34 1 4 0 38 351.494 6
Mid Mid (pH 6-8) 5.79 2.6 -26.72 2 4 1 39 352.502 6

Activity (Go SEA)

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