UCSF

ZINC43252811

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) 3.82 9.63 -115.12 4 2 2 32 322.905 4
Hi High (pH 8-9.5) 3.82 7.79 -2.45 2 2 0 29 320.889 4
Mid Mid (pH 6-8) 3.82 7.95 -34.47 3 2 1 31 321.897 4

Activity (Go SEA)

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