UCSF

ZINC39044264

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 19 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) 1.14 8.26 -19.87 0 5 0 64 269.341 5
Hi High (pH 8-9.5) 1.88 7.2 -50.59 0 5 -1 70 268.333 4

Activity (Go SEA)

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