UCSF

ZINC43800309

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 20 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) 0.14 5.6 -57.97 2 6 0 86 278.308 5
Hi High (pH 8-9.5) 0.14 4.23 -44.21 1 6 -1 82 277.3 5

Activity (Go SEA)

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