UCSF

ZINC63002757

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 19 No

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) 2.32 7.11 -34.62 2 4 1 52 274.369 4
Hi High (pH 8-9.5) 2.32 6.16 -8.76 1 4 0 50 273.361 4

Activity (Go SEA)

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

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