UCSF

ZINC01760773

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 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) -0.65 1.02 -13.41 1 5 0 72 173.197 2
Hi High (pH 8-9.5) -0.65 1.06 -42.92 0 5 -1 74 172.189 2

Activity (Go SEA)

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

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