UCSF

ZINC48584569

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 14 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) 2.41 5.71 -6.67 0 2 0 27 273.199 5
Mid Mid (pH 6-8) 2.41 8.13 -52.36 1 2 1 28 274.207 5

Activity (Go SEA)

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