UCSF

ZINC52813400

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 15 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) -0.26 0.11 -38.33 4 7 0 105 205.225 3
Mid Mid (pH 6-8) -0.26 -0.24 -38.79 3 7 -1 104 204.217 3
Lo Low (pH 4.5-6) -0.26 0.11 -30.92 5 7 1 107 206.233 3

Activity (Go SEA)

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

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