UCSF

ZINC37716364

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 20 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) -2.45 0.97 -55.71 3 9 1 106 283.312 3
Mid Mid (pH 6-8) -2.45 -0.32 -11.38 2 9 0 101 282.304 3

Activity (Go SEA)

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

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