UCSF

ZINC20129862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 Yes

Other Names:

MFCD12459227

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) 3.94 6.86 -41.81 3 2 1 37 274.771 3
Hi High (pH 8-9.5) 3.94 7.64 -26.75 2 2 0 40 273.763 3
Hi High (pH 8-9.5) 3.94 6.28 -40.59 1 2 -1 35 272.755 3

Activity (Go SEA)

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