UCSF

ZINC15453987

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 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) 3.38 6.6 -15.95 0 3 0 47 297.379 2
Lo Low (pH 4.5-6) 3.38 6.92 -35.69 1 3 1 48 298.387 2

Activity (Go SEA)

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