UCSF

ZINC53598511

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 22 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) 5.82 11.52 -31.01 1 2 1 26 356.342 4
Ref Reference (pH 7) 5.82 11.22 -8.33 0 2 0 25 355.334 4
Lo Low (pH 4.5-6) 5.82 11.83 -26.09 1 2 1 26 356.342 4

Activity (Go SEA)

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

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