UCSF

ZINC43220661

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 11 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) 2.07 5.01 -7.45 1 2 0 29 146.193 0
Lo Low (pH 4.5-6) 2.07 5.45 -27.31 2 2 1 30 147.201 0

Activity (Go SEA)

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