UCSF

ZINC33751650

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 35 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) 4.24 13.83 -73.48 1 7 0 83 480.605 13
Hi High (pH 8-9.5) 4.24 11.62 -57.71 0 7 -1 82 479.597 13
Lo Low (pH 4.5-6) 4.24 12.55 -59.69 2 7 1 81 481.613 13

Activity (Go SEA)

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