UCSF

ZINC42176099

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 18 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) 2.04 -1.13 -9.42 4 5 0 92 270.354 3
Hi High (pH 8-9.5) 2.04 -0.37 -42.51 3 5 -1 95 269.346 3

Activity (Go SEA)

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