UCSF

ZINC00729417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 28 Yes

Other Names:

MFCD03632529

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) 4.25 -2.29 -15.73 0 4 0 49 447.348 2
Mid Mid (pH 6-8) 4.25 -2.69 -15.76 0 4 0 49 447.348 2
Mid Mid (pH 6-8) 4.42 -3.69 -12.47 0 4 0 49 447.348 2

Activity (Go SEA)

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