UCSF

ZINC53116957

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.09 4.88 -41.07 3 5 1 76 296.387 6
Hi High (pH 8-9.5) 2.09 3.67 -7.63 2 5 0 72 295.379 6

Activity (Go SEA)

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