UCSF

ZINC52537268

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 23 Yes

Other Names:

MFCD16628303

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) 4.14 11.07 -32.14 1 2 1 8 309.477 5
Mid Mid (pH 6-8) 4.14 9.36 -2.66 0 2 0 6 308.469 5
Mid Mid (pH 6-8) 4.14 11.66 -35.63 1 2 1 8 309.477 5

Activity (Go SEA)

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