UCSF

ZINC12535853

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 30 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) 3.66 9.81 -16 1 7 0 66 418.526 5
Mid Mid (pH 6-8) 3.66 11.05 -94.97 3 7 2 68 420.542 5
Lo Low (pH 4.5-6) 3.66 10.26 -31.35 2 7 1 67 419.534 5

Activity (Go SEA)

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

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