UCSF

ZINC42866049

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 3.33 8.84 -9.87 1 3 0 38 294.445 2
Mid Mid (pH 6-8) 3.79 7.59 -41.88 0 3 -1 41 293.437 2

Activity (Go SEA)

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