UCSF

ZINC43912838

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.56 3.59 -107.51 3 5 2 49 262.394 9
Hi High (pH 8-9.5) 0.56 -0.22 -3.85 1 5 0 43 260.378 9
Hi High (pH 8-9.5) 0.56 1.01 -32.77 2 5 1 48 261.386 9
Mid Mid (pH 6-8) 0.56 1.31 -29.04 2 5 1 44 261.386 9

Activity (Go SEA)

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