UCSF

ZINC36881022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) -0.32 6.05 -50.79 3 4 1 65 273.356 2
Hi High (pH 8-9.5) -0.32 5.73 -11.2 2 4 0 63 272.348 2

Activity (Go SEA)

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