UCSF

ZINC62509412

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 3.74 10.62 -13.54 1 4 0 46 341.842 7
Lo Low (pH 4.5-6) 3.74 11.05 -36.76 2 4 1 48 342.85 7

Activity (Go SEA)

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