UCSF

ZINC15770068

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 24 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) 2.97 7.27 -14.52 0 5 0 49 344.484 2
Lo Low (pH 4.5-6) 2.97 7.55 -41.45 1 5 1 51 345.492 2

Activity (Go SEA)

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