UCSF

ZINC06423938

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 31 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) 3.84 9.92 -54.84 1 5 -1 81 416.428 6
Mid Mid (pH 6-8) 3.84 9.42 -11.69 2 5 0 78 417.436 6
Mid Mid (pH 6-8) 3.26 9.79 -11.9 1 5 0 75 417.436 6

Activity (Go SEA)

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