UCSF

ZINC20268325

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 Yes

Other Names:

MFCD10034714

MFCD15142072

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.87 5.07 -126.43 3 4 2 40 238.331 3
Hi High (pH 8-9.5) 0.87 1.61 -5.94 1 4 0 34 236.315 3
Mid Mid (pH 6-8) 0.87 3.01 -47.46 2 4 1 38 237.323 3

Activity (Go SEA)

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