UCSF

ZINC53143979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.44 10.56 -37 1 4 1 34 277.388 7
Mid Mid (pH 6-8) 2.44 8.61 -5.76 0 4 0 33 276.38 7

Activity (Go SEA)

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