UCSF

ZINC36612628

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 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) 3.20 11.71 -67.15 0 9 -1 120 451.455 9
Ref Reference (pH 7) 3.20 12.19 -68.47 0 9 -1 120 451.455 9

Activity (Go SEA)

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