UCSF

ZINC43699997

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 14 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) -2.84 2.07 -79.44 4 5 1 75 202.278 3
Hi High (pH 8-9.5) -2.84 0.61 -32.67 3 5 0 74 201.27 3
Hi High (pH 8-9.5) -2.84 1.68 -37.19 3 5 0 74 201.27 3
Hi High (pH 8-9.5) -2.84 1.98 -59.58 3 5 0 74 201.27 3

Activity (Go SEA)

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