UCSF

ZINC47278291

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.14 9.9 -12.39 0 3 0 24 312.388 3
Lo Low (pH 4.5-6) 3.14 10.25 -24.51 1 3 0 25 313.396 3

Activity (Go SEA)

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