UCSF

ZINC19840626

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 15 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) -0.22 -0.06 -37.09 2 4 1 32 214.333 3
Hi High (pH 8-9.5) -0.22 -1.28 -3.07 1 4 0 28 213.325 3
Mid Mid (pH 6-8) -0.22 0.97 -32.76 2 4 1 29 214.333 3
Mid Mid (pH 6-8) -0.21 2.62 -92.42 3 4 2 34 215.341 3

Activity (Go SEA)

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