UCSF

ZINC37979804

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) 2.07 8.28 -36.61 2 4 1 42 235.355 3
Lo Low (pH 4.5-6) 2.07 8.6 -83.84 3 4 2 43 236.363 3

Activity (Go SEA)

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