UCSF

ZINC19843007

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 25 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) 2.47 6.03 -12.22 2 5 0 71 328.375 4
Hi High (pH 8-9.5) 2.47 6.8 -48.69 1 5 -1 74 327.367 4
Lo Low (pH 4.5-6) 2.47 6.96 -91.77 4 5 2 73 330.391 4

Activity (Go SEA)

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