UCSF

ZINC66522561

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2011 22 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) 1.52 5.57 -20.47 1 6 0 92 304.346 6
Hi High (pH 8-9.5) 1.98 3.7 -48.5 0 6 -1 95 303.338 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.