UCSF

ZINC40165366

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 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) 4.29 12.16 -59.24 4 8 0 133 503.617 24
Hi High (pH 8-9.5) 4.29 11.77 -48.17 3 8 -1 131 502.609 24

Activity (Go SEA)

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