UCSF

ZINC62038870

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 33 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) 5.92 10.25 -12.31 2 6 0 92 477.611 7
Hi High (pH 8-9.5) 5.92 11.02 -43.19 1 6 -1 95 476.603 7

Activity (Go SEA)

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