UCSF

ZINC35625249

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 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) 3.37 7.49 -40.37 2 2 1 20 302.269 6
Mid Mid (pH 6-8) 3.37 9.85 -119.48 3 2 2 21 303.277 6
Mid Mid (pH 6-8) 3.37 9.13 -35.97 2 2 1 16 302.269 6

Activity (Go SEA)

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