UCSF

ZINC21535916

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 23 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 8.28 -15.61 1 5 0 63 345.449 4
Mid Mid (pH 6-8) 2.97 5.69 -38.21 2 5 1 68 346.457 4
Mid Mid (pH 6-8) 2.45 8.7 -42.31 2 5 1 65 346.457 4

Activity (Go SEA)

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

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