UCSF

ZINC42767783

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 2.39 5.39 -106.51 5 3 2 56 253.415 4
Mid Mid (pH 6-8) 2.39 3.73 -35.69 4 3 1 55 252.407 4

Activity (Go SEA)

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