UCSF

ZINC21672647

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 22 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) 2.98 7.98 -41.51 2 4 1 43 309.405 7
Hi High (pH 8-9.5) 2.98 5.65 -16.28 1 4 0 42 308.397 7

Activity (Go SEA)

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