UCSF

ZINC19819691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 25 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) 2.61 7.07 -9.56 1 5 0 58 355.463 3
Lo Low (pH 4.5-6) 2.61 9.45 -48.06 2 5 1 59 356.471 3

Activity (Go SEA)

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