UCSF

ZINC33699750

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 25 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) 5.98 11.52 -54.54 2 4 0 66 328.371 3
Hi High (pH 8-9.5) 5.98 11.13 -61.07 1 4 -1 65 327.363 3

Activity (Go SEA)

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