UCSF

ZINC43617898

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 13 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) 0.27 1.96 -36.3 3 4 1 63 190.263 8
Hi High (pH 8-9.5) 0.27 0.8 -6.34 2 4 0 59 189.255 8

Activity (Go SEA)

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