UCSF

ZINC33369361

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2009 26 No

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) 2.88 8.3 -51.41 2 7 1 83 372.836 4
Hi High (pH 8-9.5) 2.88 6.88 -12.56 1 7 0 78 371.828 4

Activity (Go SEA)

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