UCSF

ZINC40940576

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 36 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.20 14.69 -19.09 1 6 0 70 518.66 8
Hi High (pH 8-9.5) 5.27 13.02 -61.35 0 6 -1 76 517.652 8

Activity (Go SEA)

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