UCSF

ZINC13570507

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 6.81 -62.71 0 6 -1 83 354.382 7
Mid Mid (pH 6-8) 1.76 8.2 -13.42 0 6 0 77 355.39 7
Mid Mid (pH 6-8) 2.34 5.98 -15.9 1 6 0 80 355.39 7

Activity (Go SEA)

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