UCSF

ZINC20916147

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 4.24 7.39 -38.49 1 7 -1 110 354.367 4
Mid Mid (pH 6-8) 4.24 8.39 -93.44 0 7 -2 113 353.359 4

Activity (Go SEA)

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