UCSF

ZINC34939753

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 0.75 3.46 -34.6 3 4 1 46 240.371 3
Lo Low (pH 4.5-6) 0.75 4.75 -106.45 4 4 2 50 241.379 3
Lo Low (pH 4.5-6) 0.75 2.91 -39.18 3 4 1 49 240.371 3

Activity (Go SEA)

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