UCSF

ZINC39886231

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 21 No

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) 4.32 8.79 -7.12 1 3 0 45 294.379 2
Mid Mid (pH 6-8) 4.77 7.23 -45.69 0 3 -1 48 293.371 2

Activity (Go SEA)

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