UCSF

ZINC20228317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

Download: MOL2 SDF SMILES Flexibase

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) 2.09 9.32 -72.77 1 9 0 110 466.49 8
Hi High (pH 8-9.5) 2.09 6.77 -59.05 0 9 -1 108 465.482 8

Activity (Go SEA)

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