UCSF

ZINC04188326

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 29 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) 5.67 12.95 -42.72 2 4 1 40 391.535 6
Mid Mid (pH 6-8) 5.67 11.85 -6.98 1 4 0 35 390.527 6

Activity (Go SEA)

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