UCSF

ZINC36154032

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 15 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) -1.09 3.45 -45.45 1 7 -1 100 227.225 2
Hi High (pH 8-9.5) -0.90 1.73 -96.64 0 7 -2 106 226.217 2

Activity (Go SEA)

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