UCSF

ZINC39886139

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 25 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) 5.76 10.5 -6.3 1 3 0 45 354.45 3
Mid Mid (pH 6-8) 6.22 8.95 -40.92 0 3 -1 48 353.442 3

Activity (Go SEA)

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