UCSF

ZINC06500251

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2006 11 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) 0.47 -0.8 -18.43 0 4 0 56 173.193 2
Lo Low (pH 4.5-6) 0.47 0.11 -41.86 1 4 1 58 174.201 2

Activity (Go SEA)

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

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