UCSF

ZINC60022618

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 29 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) 5.00 12.27 -55.87 2 4 1 37 390.551 4
Hi High (pH 8-9.5) 5.00 10.03 -9.68 1 4 0 36 389.543 4

Activity (Go SEA)

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

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