UCSF

ZINC42809810

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 0.03 -3.53 -43.72 2 7 -1 118 329.326 6
Lo Low (pH 4.5-6) 0.03 -3.63 -15.83 3 7 0 116 330.334 6

Activity (Go SEA)

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