UCSF

ZINC13989417

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 29 Yes

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) 4.08 11.17 -8.78 0 4 0 35 390.527 9
Lo Low (pH 4.5-6) 4.08 13.66 -113.34 2 4 2 37 392.543 9

Activity (Go SEA)

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