UCSF

ZINC66136698

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 26 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) 3.53 8.6 -11.3 0 5 0 56 354.45 4
Mid Mid (pH 6-8) 3.53 8.91 -34.91 1 5 1 57 355.458 4

Activity (Go SEA)

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

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