UCSF

ZINC21578528

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 27 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) 0.47 6.02 -54.14 2 7 1 66 375.493 5
Hi High (pH 8-9.5) 0.47 3.81 -14.03 1 7 0 65 374.485 5
Lo Low (pH 4.5-6) 0.47 5.9 -47.36 2 7 1 66 375.493 5
Lo Low (pH 4.5-6) 0.47 8.06 -110.56 3 7 2 68 376.501 5

Activity (Go SEA)

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