UCSF

ZINC43259152

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.36 8.65 -125.2 4 2 2 32 341.318 5
Hi High (pH 8-9.5) 3.36 6.24 -2.38 2 2 0 29 339.302 5
Mid Mid (pH 6-8) 3.36 6.66 -42.13 3 2 1 31 340.31 5

Activity (Go SEA)

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