UCSF

ZINC43247673

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.18 8.8 -27.54 3 2 1 30 289.468 6
Hi High (pH 8-9.5) 3.18 6.56 -3.33 2 2 0 29 288.46 6
Mid Mid (pH 6-8) 3.18 8.73 -108.22 4 2 2 32 290.476 6
Mid Mid (pH 6-8) 3.18 6.73 -48.38 3 2 1 31 289.468 6

Activity (Go SEA)

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