UCSF

ZINC43969319

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) 2.26 5.96 -33.96 2 4 1 38 279.404 6
Hi High (pH 8-9.5) 2.26 2.67 -4.16 1 4 0 34 278.396 6
Lo Low (pH 4.5-6) 2.26 6.06 -110.78 3 4 2 40 280.412 6

Activity (Go SEA)

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