UCSF

ZINC43967172

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.31 7.7 -45.56 2 4 1 38 287.431 6
Hi High (pH 8-9.5) 2.31 6.6 -6.22 1 4 0 33 286.423 6
Mid Mid (pH 6-8) 2.31 9.12 -39.49 2 4 1 34 287.431 6
Lo Low (pH 4.5-6) 2.31 8.68 -121.05 3 4 2 39 288.439 6

Activity (Go SEA)

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