UCSF

ZINC43447891

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 2.76 6.39 -31.13 2 4 1 51 246.371 11
Hi High (pH 8-9.5) 2.76 4.49 -4.73 1 4 0 50 245.363 11

Activity (Go SEA)

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