UCSF

ZINC36217460

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 1.78 3.36 -44.37 1 6 1 58 361.919 5
Hi High (pH 8-9.5) 1.78 0.92 -8.47 0 6 0 57 360.911 5

Activity (Go SEA)

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