UCSF

ZINC20392329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 33 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) 1.04 6.56 -55.49 0 9 -1 106 450.471 5
Mid Mid (pH 6-8) 1.04 8.89 -60.5 1 9 0 108 451.479 5

Activity (Go SEA)

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