UCSF

ZINC21802760

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) -1.17 -0.59 -55.09 4 5 1 83 259.351 6
Hi High (pH 8-9.5) -1.17 -0.91 -9.98 3 5 0 81 258.343 6

Activity (Go SEA)

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