UCSF

ZINC20899020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 28 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) 1.76 5.82 -47.54 1 8 -1 100 401.468 4
Lo Low (pH 4.5-6) 1.30 6.87 -15.48 2 8 0 96 402.476 4

Activity (Go SEA)

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