UCSF

ZINC25062240

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 21 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) 3.17 6.09 -15.45 1 3 0 46 311.353 5
Hi High (pH 8-9.5) 3.17 5.68 -36.55 0 3 -1 48 310.345 5

Activity (Go SEA)

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