UCSF

ZINC04649730

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2005 29 Yes

Other Names:

MFCD06193758

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) 4.68 0.17 -11.54 1 4 0 46 401.535 6
Mid Mid (pH 6-8) 4.68 0.38 -35.43 2 4 1 48 402.543 6

Activity (Go SEA)

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