UCSF

ZINC04244126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 Yes

Other Names:

MFCD06740306

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) 2.92 5.41 -5.78 2 2 0 39 238.212 2
Mid Mid (pH 6-8) 2.92 5.68 -33.75 3 2 1 40 239.22 2

Activity (Go SEA)

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