UCSF

ZINC40567021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 34 Yes

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) 6.02 14.13 -35.66 2 5 1 52 461.626 10
Hi High (pH 8-9.5) 6.02 12.06 -11.51 1 5 0 51 460.618 10

Activity (Go SEA)

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