UCSF

ZINC43968719

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 0.96 2.38 -35.33 2 4 1 38 231.36 7
Hi High (pH 8-9.5) 0.96 1.66 -1.57 1 4 0 34 230.352 7
Mid Mid (pH 6-8) 0.96 3.53 -31.31 2 4 1 35 231.36 7

Activity (Go SEA)

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