UCSF

ZINC12354836

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2008 22 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) -2.18 -13.46 -16.49 7 10 0 170 309.282 3
Lo Low (pH 4.5-6) -2.18 -19.26 -35.05 8 10 1 171 310.29 3
Lo Low (pH 4.5-6) -2.18 -13.32 -36.82 8 10 1 171 310.29 3

Activity (Go SEA)

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