UCSF

ZINC43912975

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 2.36 4.21 -29.81 2 4 1 38 273.441 10
Hi High (pH 8-9.5) 2.36 3.92 -2.08 1 4 0 34 272.433 10
Hi High (pH 8-9.5) 2.36 7.27 -25.88 2 4 1 35 273.441 10

Activity (Go SEA)

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