UCSF

ZINC34981563

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 1.49 5.11 -9.21 0 4 0 33 248.326 4
Mid Mid (pH 6-8) 1.49 7.26 -38.92 1 4 1 34 249.334 4

Activity (Go SEA)

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