UCSF

ZINC12222086

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 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) 3.66 -0.94 -11.99 1 5 0 60 364.493 8
Lo Low (pH 4.5-6) 3.66 -0.83 -40.58 2 5 1 61 365.501 8
Lo Low (pH 4.5-6) 3.66 -0.88 -44.76 2 5 1 61 365.501 8
Lo Low (pH 4.5-6) 3.66 -0.77 -87.54 3 5 2 62 366.509 8

Activity (Go SEA)

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