UCSF

ZINC30908582

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 19 Yes

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) 2.00 7.72 -37.06 2 3 1 34 276.791 3
Hi High (pH 8-9.5) 2.00 6.38 -6.54 1 3 0 30 275.783 3

Activity (Go SEA)

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