UCSF

ZINC28604357

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2009 15 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) 1.37 5.11 -40.07 3 3 1 48 207.297 2
Mid Mid (pH 6-8) 1.37 4.79 -7.48 2 3 0 46 206.289 2

Activity (Go SEA)

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