UCSF

ZINC20899033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 29 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) 1.37 4.12 -48.94 1 9 -1 109 417.467 4
Lo Low (pH 4.5-6) 0.91 5.17 -15.71 2 9 0 106 418.475 4

Activity (Go SEA)

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