UCSF

ZINC41470223

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 4.03 9.13 -12.06 1 4 0 47 313.788 5
Lo Low (pH 4.5-6) 4.03 9.59 -32.52 2 4 1 48 314.796 5

Activity (Go SEA)

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