UCSF

ZINC04501984

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 27 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) 4.44 8.51 -39.7 3 6 0 88 384.819 5
Hi High (pH 8-9.5) 4.44 9.5 -74.99 2 6 -1 90 383.811 5

Activity (Go SEA)

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

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