UCSF

ZINC37339652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 16 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) 1.48 5.78 -32.92 1 3 1 25 225.356 2
Hi High (pH 8-9.5) 1.48 3.23 -5.06 0 3 0 24 224.348 2
Mid Mid (pH 6-8) 1.48 5.39 -32.12 1 3 1 25 225.356 2

Activity (Go SEA)

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