UCSF

ZINC43445554

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 14 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) -0.19 1.41 -45.38 3 4 1 63 196.274 6
Hi High (pH 8-9.5) -0.19 0.04 -7.72 2 4 0 58 195.266 6

Activity (Go SEA)

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