UCSF

ZINC67446988

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 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) 0.38 2.76 -10.87 1 6 0 59 294.399 6
Mid Mid (pH 6-8) 0.38 5.17 -45.14 2 6 1 61 295.407 6

Activity (Go SEA)

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