UCSF

ZINC19170381

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2008 29 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) 4.83 8.91 -16.59 2 5 0 75 426.563 6
Hi High (pH 8-9.5) 4.83 8.99 -46.25 1 5 -1 77 425.555 6

Activity (Go SEA)

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