UCSF

ZINC37098685

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.77 5.4 -11.68 2 3 0 42 209.318 4
Lo Low (pH 4.5-6) 1.77 5.86 -40.09 3 3 1 43 210.326 4

Activity (Go SEA)

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