UCSF

ZINC43978551

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) 3.19 6.87 -28.96 2 3 1 20 282.496 6
Hi High (pH 8-9.5) 3.19 7.92 -111.78 3 3 2 24 283.504 6
Mid Mid (pH 6-8) 3.19 8.22 -80.02 3 3 2 24 283.504 6

Activity (Go SEA)

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