UCSF

ZINC31439435

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 7 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) -0.10 1.54 -36.69 2 3 0 66 101.105 2
Mid Mid (pH 6-8) -0.10 1.63 -39.46 1 3 -1 64 100.097 2
Mid Mid (pH 6-8) -0.10 1.63 -40.3 1 3 -1 64 100.097 2

Activity (Go SEA)

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

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