UCSF

ZINC43453278

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 0.88 5.96 -47.39 2 4 1 46 251.35 8
Hi High (pH 8-9.5) 0.88 4.58 -11.89 1 4 0 42 250.342 8

Activity (Go SEA)

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