UCSF

ZINC35081339

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) 0.72 3.85 -73.41 4 5 2 51 251.378 4
Hi High (pH 8-9.5) 0.72 0.91 -5.17 2 5 0 49 249.362 4
Mid Mid (pH 6-8) 0.72 3.38 -39.04 3 5 1 50 250.37 4

Activity (Go SEA)

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