UCSF

ZINC22358571

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 26 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) 3.13 6.2 -81.4 4 5 2 57 366.594 2
Hi High (pH 8-9.5) 3.13 5.5 -34.65 3 5 1 52 365.586 2
Mid Mid (pH 6-8) 3.13 7.74 -95.43 4 5 2 53 366.594 2

Activity (Go SEA)

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

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