UCSF

ZINC01144854

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 24 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) 1.04 -9.38 -17.87 3 8 0 124 372.424 6
Hi High (pH 8-9.5) 1.04 -8.8 -45.02 2 8 -1 126 371.416 6

Activity (Go SEA)

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