UCSF

ZINC42946455

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 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) 2.00 2.98 -103.37 6 4 2 75 297.83 4
Mid Mid (pH 6-8) 2.00 1.66 -49.95 5 4 1 74 296.822 4

Activity (Go SEA)

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