UCSF

ZINC43709074

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 19 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) -2.16 -0.32 -103.88 6 7 2 102 272.349 4
Hi High (pH 8-9.5) -2.16 -1.68 -49.95 5 7 1 98 271.341 4

Activity (Go SEA)

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