UCSF

ZINC34990626

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 1.68 3.84 -12.54 2 5 0 79 249.295 4
Hi High (pH 8-9.5) 2.13 1.85 -48.23 1 5 -1 82 248.287 4

Activity (Go SEA)

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