UCSF

ZINC20873332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 15 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) 0.89 2.35 -40.59 4 4 1 69 229.687 5
Hi High (pH 8-9.5) 0.89 0.81 -14.07 3 4 0 64 228.679 5

Activity (Go SEA)

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