UCSF

ZINC37919002

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 15 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) -1.27 2.75 -49.48 2 7 -1 111 209.185 4
Lo Low (pH 4.5-6) -1.27 0.75 -11.64 3 7 0 108 210.193 4

Activity (Go SEA)

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

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