UCSF

ZINC09271505

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 25 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) 2.92 7.19 -60.48 0 5 -1 70 376.841 6
Mid Mid (pH 6-8) 2.33 7.56 -13.07 0 5 0 64 377.849 6
Mid Mid (pH 6-8) 2.92 7.11 -12.97 1 5 0 67 377.849 6

Activity (Go SEA)

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