UCSF

ZINC48630421

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 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) 0.20 -2.46 -15.02 4 7 0 111 285.325 4
Mid Mid (pH 6-8) 0.20 -2.35 -44.48 3 7 -1 113 284.317 4

Activity (Go SEA)

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

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