UCSF

ZINC36163792

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.50 5.34 -8.43 1 5 0 66 289.36 2
Hi High (pH 8-9.5) 1.96 3.55 -44.21 0 5 -1 69 288.352 2

Activity (Go SEA)

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