UCSF

ZINC16449139

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 22 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) 4.79 6.15 -10.66 2 4 0 65 330.796 2
Hi High (pH 8-9.5) 5.25 4.59 -44.43 1 4 -1 69 329.788 2
Mid Mid (pH 6-8) 4.30 6.42 -12.55 2 4 0 62 330.796 3

Activity (Go SEA)

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