UCSF

ZINC23411089

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 30 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) 4.61 10.37 -66.76 1 9 -1 129 414.438 9
Mid Mid (pH 6-8) 4.61 9.37 -26.51 2 9 0 126 415.446 9

Activity (Go SEA)

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