UCSF

ZINC06622344

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 27 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) 3.31 8.94 -60.41 0 5 -1 74 378.429 5
Mid Mid (pH 6-8) 3.31 0.24 -12.3 1 5 0 70 379.437 5
Mid Mid (pH 6-8) 2.73 -0.03 -10.46 0 5 0 67 379.437 5

Activity (Go SEA)

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