UCSF

ZINC43252867

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 4.11 8.78 -32.7 3 2 1 30 323.913 7
Hi High (pH 8-9.5) 4.11 6.82 -2.66 2 2 0 29 322.905 7
Mid Mid (pH 6-8) 4.11 9.06 -111.54 4 2 2 32 324.921 7
Mid Mid (pH 6-8) 4.11 7.13 -47.71 3 2 1 31 323.913 7

Activity (Go SEA)

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