UCSF

ZINC69513179

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 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) 2.76 9.88 -28.16 0 7 0 86 316.292 5
Lo Low (pH 4.5-6) 2.76 10.5 -49.97 1 7 1 87 317.3 5

Activity (Go SEA)

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

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