UCSF

ZINC39354565

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 38 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) 5.28 13.27 -107.34 4 6 2 80 527.068 6
Hi High (pH 8-9.5) 5.28 11.22 -38.6 3 6 1 79 526.06 6

Activity (Go SEA)

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