UCSF

ZINC26516561

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 14 Yes

Other Names:

MFCD26792939

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) 0.49 2.35 -44.19 3 3 1 44 195.286 2
Lo Low (pH 4.5-6) 0.49 4.51 -105.99 4 3 2 45 196.294 2

Activity (Go SEA)

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