UCSF

ZINC20031781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 21 Yes

Other Names:

MFCD03068956

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) 2.60 7.26 -10.8 1 4 0 49 300.745 2
Hi High (pH 8-9.5) 3.61 7.32 -41.56 1 4 -1 57 299.737 2

Activity (Go SEA)

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