UCSF

ZINC18007612

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 21 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) 2.48 7.96 -50.87 2 4 1 54 287.383 3
Ref Reference (pH 7) 2.48 7.96 -50.91 2 4 1 54 287.383 3
Mid Mid (pH 6-8) 2.48 7 -9.08 1 4 0 49 286.375 3
Mid Mid (pH 6-8) 2.48 7.01 -10.82 1 4 0 49 286.375 3

Activity (Go SEA)

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