UCSF

ZINC19976659

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 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) -1.11 0.96 -49.85 2 6 1 71 290.409 4
Hi High (pH 8-9.5) -1.11 0.17 -52.57 2 6 1 74 290.409 4
Hi High (pH 8-9.5) -1.11 -1.26 -18.2 1 6 0 70 289.401 4
Lo Low (pH 4.5-6) -1.11 2.37 -128.35 3 6 2 75 291.417 4

Activity (Go SEA)

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