UCSF

ZINC09373717

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 35 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) 3.24 11.33 -58.66 0 9 -1 125 471.445 6
Mid Mid (pH 6-8) 3.69 11.35 -23.38 1 9 0 122 472.453 5

Activity (Go SEA)

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