UCSF

ZINC42900130

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 2.91 6.34 -48.38 3 2 1 37 304.238 4
Hi High (pH 8-9.5) 2.91 5.94 -2.5 2 2 0 35 303.23 4

Activity (Go SEA)

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