UCSF

ZINC20032146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 23 Yes

Other Names:

MFCD09757907

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) 0.23 2.57 -12.48 1 6 0 60 318.421 4
Lo Low (pH 4.5-6) 0.23 4.92 -44.18 2 6 1 61 319.429 4
Lo Low (pH 4.5-6) 0.23 5.33 -91.14 3 6 2 62 320.437 4

Activity (Go SEA)

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