UCSF

ZINC16588210

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 27 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) 2.61 6.75 -38.31 2 7 1 77 387.485 7
Hi High (pH 8-9.5) 2.61 6.79 -16.96 1 7 0 76 386.477 7
Hi High (pH 8-9.5) 2.61 8.88 -45.11 2 7 1 77 387.485 7

Activity (Go SEA)

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