UCSF

ZINC58519436

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 13 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) -0.70 0.6 -43.28 3 4 1 59 181.215 2
Mid Mid (pH 6-8) -0.70 0.15 -5.21 2 4 0 57 180.207 2

Activity (Go SEA)

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

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