UCSF

ZINC35025554

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 No

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) 2.44 8.74 -62.15 0 7 -1 92 441.463 5
Lo Low (pH 4.5-6) 2.44 7.99 -17.73 1 7 0 89 442.471 5
Lo Low (pH 4.5-6) 2.44 8.45 -44.88 2 7 1 90 443.479 5

Activity (Go SEA)

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