UCSF

ZINC19979379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 3.79 11.33 -117.12 3 2 2 21 288.479 5
Hi High (pH 8-9.5) 3.79 9.26 -38.26 2 2 1 20 287.471 5

Activity (Go SEA)

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