UCSF

ZINC37801557

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 Yes

Other Names:

MFCD13244618

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) 0.69 3.86 -43.8 3 4 1 57 249.334 5
Hi High (pH 8-9.5) 0.69 3.43 -10.64 2 4 0 56 248.326 5

Activity (Go SEA)

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