UCSF

ZINC13780147

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 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) -1.36 -5.16 -31.77 6 6 1 106 250.315 5
Hi High (pH 8-9.5) -1.36 -4.5 -41.38 5 6 0 108 249.307 5

Activity (Go SEA)

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