UCSF

ZINC52480308

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 20 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) -0.18 0.47 -54.85 2 7 1 85 302.424 7
Lo Low (pH 4.5-6) -0.18 2.57 -120.44 3 7 2 86 303.432 7

Activity (Go SEA)

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

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