UCSF

ZINC62554946

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 24 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) 3.93 8.51 -9.21 0 4 0 33 330.472 5
Lo Low (pH 4.5-6) 3.93 10.73 -47.3 1 4 1 34 331.48 5

Activity (Go SEA)

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