UCSF

ZINC53653535

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 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) 0.82 5.34 -34.35 2 4 1 39 264.393 7
Mid Mid (pH 6-8) 0.82 4.7 -39.62 2 4 1 42 264.393 7
Mid Mid (pH 6-8) 0.82 6.62 -119.53 3 4 2 43 265.401 7

Activity (Go SEA)

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

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