UCSF

ZINC68251233

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2011 27 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) 2.19 10.88 -51.56 1 5 1 45 366.485 5
Hi High (pH 8-9.5) 2.19 8.41 -13.42 0 5 0 44 365.477 5

Activity (Go SEA)

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