UCSF

ZINC43593000

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 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) 1.16 -0.12 -13.96 2 6 0 98 324.399 5
Hi High (pH 8-9.5) 1.16 0.37 -39.76 1 6 -1 95 323.391 5

Activity (Go SEA)

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