UCSF

ZINC13570508

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 26 No

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) 2.34 8.37 -47.36 0 6 -1 83 354.382 7
Mid Mid (pH 6-8) 2.34 7.63 -13.04 1 6 0 80 355.39 7
Mid Mid (pH 6-8) 1.76 8.19 -12.65 0 6 0 77 355.39 7

Activity (Go SEA)

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