UCSF

ZINC10009681

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 26 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) 4.37 -4.54 -16.65 2 5 0 75 386.498 5
Hi High (pH 8-9.5) 4.37 -3.96 -46.89 1 5 -1 77 385.49 5

Activity (Go SEA)

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