UCSF

ZINC43906465

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 15 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) 3.07 8.34 -107.76 3 2 2 21 214.397 8
Hi High (pH 8-9.5) 3.07 6.34 -31.51 2 2 1 20 213.389 8
Mid Mid (pH 6-8) 3.07 7.12 -29.98 2 2 1 16 213.389 8

Activity (Go SEA)

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