UCSF

ZINC43396228

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 0.36 3.87 -12.03 2 5 0 81 199.217 1
Lo Low (pH 4.5-6) 0.36 3.69 -50.43 3 5 1 82 200.225 1

Activity (Go SEA)

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