UCSF

ZINC34940075

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 No

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) 1.48 5.38 -10.01 2 3 0 32 269.801 3
Mid Mid (pH 6-8) 1.48 6.92 -41.98 3 3 1 34 270.809 3

Activity (Go SEA)

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