UCSF

ZINC65522286

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 23 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) 1.91 6.35 -28.1 2 6 0 79 314.32 3
Hi High (pH 8-9.5) 2.37 5.05 -53.3 1 6 -1 82 313.312 3

Activity (Go SEA)

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

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