UCSF

ZINC03929895

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 37 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) -0.65 -6.22 -79.62 4 13 -1 194 540.563 6
Lo Low (pH 4.5-6) -0.65 -5.85 -114.72 6 13 1 196 542.579 6
Lo Low (pH 4.5-6) -0.65 -5.96 -87.35 5 13 0 195 541.571 6
Lo Low (pH 4.5-6) -0.65 -6.11 -98.78 5 13 0 195 541.571 6

Activity (Go SEA)

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