UCSF

ZINC43973960

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 2.82 6.51 -2.63 2 4 0 35 299.479 6
Hi High (pH 8-9.5) 2.82 3.98 -1.96 1 4 0 34 298.471 6
Mid Mid (pH 6-8) 2.82 5.46 -2 2 4 0 38 299.479 6

Activity (Go SEA)

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