UCSF

ZINC06423945

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 30 No

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) 4.84 13.54 -58.95 0 4 -1 60 416.884 6
Mid Mid (pH 6-8) 4.25 12.7 -10.83 0 4 0 54 417.892 6
Mid Mid (pH 6-8) 4.84 12.33 -11.41 1 4 0 58 417.892 6

Activity (Go SEA)

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