UCSF

ZINC57994288

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 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) 3.25 10.74 -108.4 3 2 2 21 262.441 8
Mid Mid (pH 6-8) 3.25 8.64 -38.5 2 2 1 20 261.433 8

Activity (Go SEA)

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

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