UCSF

ZINC19480726

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 Yes

Other Names:

MFCD03300738

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) 1.76 4.47 -36.69 2 4 1 29 276.404 3
Mid Mid (pH 6-8) 1.76 3.65 -43.68 2 4 1 32 276.404 3

Activity (Go SEA)

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