UCSF

ZINC39342866

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 16 Yes

Other Names:

MFCD24214551

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) 3.28 5.76 -3.51 3 2 0 38 232.714 3
Mid Mid (pH 6-8) 3.28 5.63 -43.66 4 2 1 40 233.722 3

Activity (Go SEA)

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