UCSF

ZINC65520095

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 22 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 5.77 -41.69 2 5 1 54 322.816 3
Hi High (pH 8-9.5) 1.82 3.63 -10.57 1 5 0 53 321.808 3

Activity (Go SEA)

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