UCSF

ZINC43968541

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 3.00 6.36 -33.51 2 4 1 38 295.447 11
Hi High (pH 8-9.5) 3.00 4.38 -3.99 1 4 0 34 294.439 11
Mid Mid (pH 6-8) 3.01 7.06 -35.7 2 4 1 35 295.447 11

Activity (Go SEA)

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