UCSF

ZINC43994118

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) 2.59 9.94 -93.4 3 3 2 36 271.408 3
Hi High (pH 8-9.5) 2.59 9.46 -40.01 2 3 1 34 270.4 3

Activity (Go SEA)

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