UCSF

ZINC00496652

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 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) 4.87 8.5 -8.44 1 2 0 29 259.393 2
Hi High (pH 8-9.5) 4.94 5.91 -3.67 1 2 0 33 259.393 2

Activity (Go SEA)

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