UCSF

ZINC55225289

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 25 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) 1.50 5.66 -29.88 2 6 0 76 346.406 7
Lo Low (pH 4.5-6) 1.50 5.78 -48.65 3 6 1 77 347.414 7

Activity (Go SEA)

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