UCSF

ZINC72322771

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2012 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.02 6.26 -16.11 1 7 0 76 380.448 6
Lo Low (pH 4.5-6) 2.02 6.7 -49.44 2 7 1 78 381.456 6

Activity (Go SEA)

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

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