UCSF

ZINC20873324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 18 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) 0.62 0.91 -45.95 5 5 1 89 273.74 7
Hi High (pH 8-9.5) 0.62 -0.64 -15.55 4 5 0 85 272.732 7

Activity (Go SEA)

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