UCSF

ZINC41413844

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.42 9.11 -86.91 2 3 2 12 277.456 7
Hi High (pH 8-9.5) 2.42 4.72 -2.28 0 3 0 10 275.44 7
Mid Mid (pH 6-8) 2.42 6.86 -32.93 1 3 1 11 276.448 7

Activity (Go SEA)

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