UCSF

ZINC18192689

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 25 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) 2.85 9.94 -12.17 1 7 0 100 354.391 5
Ref Reference (pH 7) 2.85 9.97 -13.06 1 7 0 100 354.391 5
Hi High (pH 8-9.5) 3.39 8.77 -51.17 0 7 -1 102 353.383 6

Activity (Go SEA)

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