UCSF

ZINC21548840

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 29 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) 3.26 5.61 -24.96 2 7 0 105 429.523 5
Hi High (pH 8-9.5) 3.26 5.68 -51.21 1 7 -1 107 428.515 5

Activity (Go SEA)

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

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