UCSF

ZINC42913477

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 3.14 9.28 -128.77 4 2 2 32 288.41 5
Mid Mid (pH 6-8) 3.14 7.8 -48.65 3 2 1 31 287.402 5
Mid Mid (pH 6-8) 3.14 8.96 -39.71 3 2 1 30 287.402 5

Activity (Go SEA)

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