UCSF

ZINC43465181

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 2.63 4.84 -11.96 1 3 0 47 224.643 3
Hi High (pH 8-9.5) 2.63 5.85 -50.28 0 3 -1 49 223.635 3

Activity (Go SEA)

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