UCSF

ZINC42863828

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 1.74 7.54 -58.47 0 5 -1 73 295.384 5
Lo Low (pH 4.5-6) 1.74 5.38 -12.54 1 5 0 71 296.392 5

Activity (Go SEA)

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