UCSF

ZINC41209523

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 14 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) 2.30 8.78 -94.22 2 2 2 9 200.37 6
Mid Mid (pH 6-8) 2.30 6.61 -31.56 1 2 1 8 199.362 6
Mid Mid (pH 6-8) 2.30 6.55 -31.17 1 2 1 8 199.362 6

Activity (Go SEA)

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