UCSF

ZINC41532947

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 27 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) 3.32 9.67 -51.98 2 5 1 46 368.501 8
Mid Mid (pH 6-8) 3.32 7.47 -13.48 1 5 0 45 367.493 8

Activity (Go SEA)

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

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