UCSF

ZINC62038794

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 31 No

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) 4.86 8.99 -12.8 2 6 0 92 449.557 6
Hi High (pH 8-9.5) 4.86 9.76 -43.45 1 6 -1 95 448.549 6

Activity (Go SEA)

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