UCSF

ZINC37002312

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.92 3.41 -47.87 4 5 1 75 294.4 5
Mid Mid (pH 6-8) 0.92 2.22 -18.33 3 5 0 70 293.392 5

Activity (Go SEA)

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