UCSF

ZINC42170005

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 18 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) 1.82 6.03 -35.38 2 4 1 50 248.35 5
Lo Low (pH 4.5-6) 1.82 6.48 -83.41 3 4 2 51 249.358 5

Activity (Go SEA)

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