UCSF

ZINC41190293

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 2.61 5.79 -27.82 2 3 1 33 294.488 4
Hi High (pH 8-9.5) 2.61 8.57 -32.8 2 3 1 29 294.488 4
Mid Mid (pH 6-8) 2.61 8.14 -96.4 3 3 2 34 295.496 4
Lo Low (pH 4.5-6) 2.61 7.94 -80.63 3 3 2 31 295.496 4

Activity (Go SEA)

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