UCSF

ZINC16700440

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 30 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) 3.33 4.32 -23.58 1 8 0 110 452.554 5
Hi High (pH 8-9.5) 3.33 4.39 -67.1 0 8 -1 112 451.546 5

Activity (Go SEA)

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