UCSF

ZINC06424026

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 28 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) 3.20 8.32 -13.43 1 5 0 71 377.371 5
Mid Mid (pH 6-8) 2.61 9.01 -21.71 0 5 0 68 377.371 5

Activity (Go SEA)

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