UCSF

ZINC13545725

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 17 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) 0.61 2.47 -19.35 1 9 0 138 257.183 2
Mid Mid (pH 6-8) 0.68 1.01 -44.44 0 9 -1 144 256.175 2

Activity (Go SEA)

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

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