UCSF

ZINC19721515

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 17 Yes

Other Names:

MFCD02179801

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) 2.36 4.88 -96.33 3 3 2 34 294.196 1
Hi High (pH 8-9.5) 2.36 3.46 -32.57 2 3 1 29 293.188 1
Hi High (pH 8-9.5) 2.36 3.07 -5.37 1 3 0 28 292.18 1
Mid Mid (pH 6-8) 2.36 4.49 -52.55 2 3 1 33 293.188 1

Activity (Go SEA)

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