UCSF

ZINC43969215

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) 2.29 4.07 -46.45 2 5 1 48 295.403 8
Hi High (pH 8-9.5) 2.29 3.05 -5.74 1 5 0 43 294.395 8
Mid Mid (pH 6-8) 2.29 5.1 -38.4 2 5 1 44 295.403 8

Activity (Go SEA)

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