UCSF

ZINC43984547

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 2.89 6.06 -42.73 2 3 1 29 275.416 4
Hi High (pH 8-9.5) 2.89 4.76 -2.76 1 3 0 24 274.408 4
Lo Low (pH 4.5-6) 2.89 8.12 -116.33 3 3 2 30 276.424 4

Activity (Go SEA)

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