UCSF

ZINC49332483

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 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) 0.60 4.28 -113.89 3 5 2 58 291.461 6
Hi High (pH 8-9.5) 0.60 3.1 -41.2 2 5 1 54 290.453 6
Mid Mid (pH 6-8) 0.60 1.91 -48.57 2 5 1 57 290.453 6

Activity (Go SEA)

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

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