UCSF

ZINC35635672

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 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) 1.24 6.53 -44.7 2 4 1 44 246.334 7
Mid Mid (pH 6-8) 1.24 5.17 -7.86 1 4 0 39 245.326 7
Mid Mid (pH 6-8) 1.24 5.68 -28.82 2 4 1 40 246.334 7

Activity (Go SEA)

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

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