UCSF

ZINC19402479

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 1.48 5.15 -91.84 5 4 2 61 265.401 6
Hi High (pH 8-9.5) 1.48 4.76 -43.92 4 4 1 60 264.393 6

Activity (Go SEA)

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