UCSF

ZINC32071114

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 23 No

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) 2.80 7.03 -38.69 2 4 1 36 309.437 2
Ref Reference (pH 7) 2.80 4.91 -30.3 2 4 1 36 309.437 2
Lo Low (pH 4.5-6) 2.80 7.37 -92.28 3 4 2 37 310.445 2

Activity (Go SEA)

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

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