UCSF

ZINC54313281

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 31 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) 3.49 7.69 -15.74 0 6 0 65 414.461 4
Lo Low (pH 4.5-6) 3.49 8.14 -48 1 6 1 66 415.469 4

Activity (Go SEA)

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