UCSF

ZINC12222621

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 21 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) 2.30 0.81 -58.98 0 5 -1 67 281.291 4
Lo Low (pH 4.5-6) 2.30 0.91 -48.68 1 5 0 68 282.299 4

Activity (Go SEA)

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

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