UCSF

ZINC15826495

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 34 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) 4.74 10.15 -12.55 1 5 0 68 452.464 5
Lo Low (pH 4.5-6) 4.74 10.43 -47.62 2 5 1 69 453.472 5

Activity (Go SEA)

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