UCSF

ZINC20265110

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 34 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) 2.04 6.46 -63.59 0 9 -1 105 469.514 10
Mid Mid (pH 6-8) 2.04 8.81 -76.69 1 9 0 106 470.522 10

Activity (Go SEA)

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