UCSF

ZINC21523490

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) 2.24 5.42 -16.65 1 4 0 51 276.361 5
Lo Low (pH 4.5-6) 2.24 5.78 -35.95 2 4 1 52 277.369 5

Activity (Go SEA)

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