UCSF

ZINC28086662

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 27 No

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
Hi High (pH 8-9.5) 3.90 5.62 -46.63 1 7 -1 102 420.879 2
Lo Low (pH 4.5-6) 2.31 6.64 -18.29 1 7 0 96 421.887 2

Activity (Go SEA)

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