UCSF

ZINC40662793

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 28 No

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) -0.47 6.27 -97.04 4 7 0 117 421.475 4
Mid Mid (pH 6-8) -0.47 5.94 -62.62 3 7 -1 116 420.467 4

Activity (Go SEA)

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

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