UCSF

ZINC17124172

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 25 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) 1.86 5.32 -64.84 1 5 -1 81 340.33 5
Mid Mid (pH 6-8) 1.86 5.47 -15.74 2 5 0 78 341.338 5
Mid Mid (pH 6-8) 1.28 5.83 -13.38 1 5 0 75 341.338 5

Activity (Go SEA)

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