UCSF

ZINC36222903

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 3.05 8.35 -40.24 1 5 0 68 300.289 4
Mid Mid (pH 6-8) 3.05 7.92 -55.24 0 5 -1 67 299.281 4

Activity (Go SEA)

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