UCSF

ZINC08979004

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 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) 1.47 -6.55 -12.63 2 7 0 97 341.414 5
Hi High (pH 8-9.5) 1.47 -5.99 -40.17 1 7 -1 99 340.406 5

Activity (Go SEA)

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

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