UCSF

ZINC17016512

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 24 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) 3.50 8.67 -56.98 0 4 -1 60 340.786 3
Mid Mid (pH 6-8) 2.92 9.08 -10.54 0 4 0 54 341.794 3
Mid Mid (pH 6-8) 3.50 8.79 -10.33 1 4 0 58 341.794 3

Activity (Go SEA)

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