UCSF

ZINC42864373

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 3.52 7.71 -32.87 2 2 1 16 239.427 3
Mid Mid (pH 6-8) 3.52 7.33 -35.69 2 2 1 20 239.427 3
Mid Mid (pH 6-8) 3.52 8.82 -101.13 3 2 2 21 240.435 3

Activity (Go SEA)

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