UCSF

ZINC39532467

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 21 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) 3.50 5.65 -32.25 2 4 1 37 331.267 4
Mid Mid (pH 6-8) 3.50 5.59 -39.74 2 4 1 37 331.267 4
Mid Mid (pH 6-8) 3.50 3.27 -7.14 1 4 0 36 330.259 4

Activity (Go SEA)

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