UCSF

ZINC22175881

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) -2.00 -0.05 -18.45 4 5 0 102 205.217 4
Lo Low (pH 4.5-6) -2.00 0.25 -71.81 5 5 1 104 206.225 4

Activity (Go SEA)

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