UCSF

ZINC43967509

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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 8.54 -93.35 3 3 2 24 275.44 5
Hi High (pH 8-9.5) 2.42 6.32 -36.19 2 3 1 23 274.432 5
Mid Mid (pH 6-8) 2.42 8.13 -122.81 3 3 2 24 275.44 5
Mid Mid (pH 6-8) 2.42 6.67 -33.55 2 3 1 20 274.432 5

Activity (Go SEA)

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