UCSF

ZINC37759581

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 18 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) -0.31 3.42 -72.28 2 6 0 77 255.318 5
Mid Mid (pH 6-8) -0.31 3.31 -70.46 2 6 0 77 255.318 5
Mid Mid (pH 6-8) -0.31 1.05 -48.52 1 6 -1 76 254.31 5
Lo Low (pH 4.5-6) -0.31 1.42 -41.89 3 6 1 74 256.326 5

Activity (Go SEA)

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