UCSF

ZINC53349401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 20 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) -0.15 5.72 -63.19 2 7 1 77 275.336 7
Mid Mid (pH 6-8) -0.15 3.4 -23.97 1 7 0 76 274.328 7

Activity (Go SEA)

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

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