UCSF

ZINC18323263

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 22 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) -1.35 8.58 -65.51 2 7 0 107 323.736 4
Ref Reference (pH 7) -1.35 8.53 -62.1 2 7 0 107 323.736 4
Mid Mid (pH 6-8) -1.35 7.85 -51.54 1 7 -1 106 322.728 4
Mid Mid (pH 6-8) -1.35 7.68 -58.3 1 7 -1 106 322.728 4
Mid Mid (pH 6-8) -1.35 7.79 -49.56 1 7 -1 106 322.728 4
Mid Mid (pH 6-8) -1.35 7.75 -60.94 1 7 -1 106 322.728 4

Activity (Go SEA)

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