UCSF

ZINC19868820

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 31 No

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) 0.13 0.99 -54.75 5 9 -1 164 425.417 2
Hi High (pH 8-9.5) 0.13 4.32 -147.95 4 9 -2 171 424.409 2
Hi High (pH 8-9.5) 0.13 1.97 -111.05 4 9 -2 167 424.409 2
Hi High (pH 8-9.5) 0.13 2.08 -128.71 4 9 -2 167 424.409 2
Mid Mid (pH 6-8) 0.13 3.23 -71.91 5 9 -1 168 425.417 2
Mid Mid (pH 6-8) 0.13 0.88 -50.65 5 9 -1 164 425.417 2
Mid Mid (pH 6-8) 0.13 2.51 -44.02 6 9 0 165 426.425 2
Mid Mid (pH 6-8) 0.13 2.69 -55.69 6 9 0 165 426.425 2

Activity (Go SEA)

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