UCSF

ZINC19898654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 1.14 4.39 -10.32 0 6 0 51 352.456 6
Mid Mid (pH 6-8) 1.14 6.79 -43.85 1 6 1 52 353.464 6

Activity (Go SEA)

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