UCSF

ZINC53446024

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 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) 3.93 8.08 -39.04 2 3 1 33 279.448 11
Hi High (pH 8-9.5) 3.93 6.9 -2.98 1 3 0 28 278.44 11
Mid Mid (pH 6-8) 3.93 10.49 -116.87 3 3 2 34 280.456 11

Activity (Go SEA)

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

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