UCSF

ZINC57571266

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2011 22 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) 3.75 11.34 -44.42 2 3 1 43 298.406 9
Hi High (pH 8-9.5) 3.75 10.29 -7.29 1 3 0 38 297.398 9

Activity (Go SEA)

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