UCSF

ZINC43252133

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 1.29 4.09 -52.19 3 3 1 55 258.798 5
Hi High (pH 8-9.5) 1.29 3.36 -7.64 2 3 0 53 257.79 5

Activity (Go SEA)

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