UCSF

ZINC43801298

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) -0.41 1.91 -53.46 2 5 1 55 229.3 1
Hi High (pH 8-9.5) -0.41 0.54 -10.13 1 5 0 51 228.292 1

Activity (Go SEA)

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