UCSF

ZINC21523913

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 23 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) 2.71 5.38 -18.12 1 6 0 81 314.389 6
Lo Low (pH 4.5-6) 2.71 5.82 -46.77 2 6 1 82 315.397 6

Activity (Go SEA)

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