UCSF

ZINC18162269

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 28 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) 2.24 4.82 -15.87 1 8 0 94 401.785 4
Ref Reference (pH 7) 2.24 4.48 -13.39 1 8 0 94 401.785 4
Ref Reference (pH 7) 2.24 4.48 -15.71 1 8 0 94 401.785 4
Mid Mid (pH 6-8) 2.24 3.97 -61.54 2 8 1 96 402.793 4

Activity (Go SEA)

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