UCSF

ZINC27979022

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 43 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) 2.40 1.77 -111.78 7 9 2 124 583.685 0
Hi High (pH 8-9.5) 2.40 -2.81 -17.15 5 9 0 122 581.669 0
Hi High (pH 8-9.5) 2.40 -0.52 -61.19 6 9 1 123 582.677 0

Activity (Go SEA)

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