UCSF

ZINC21954139

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 13 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) 1.56 4.11 -34.01 2 2 1 20 183.319 3
Lo Low (pH 4.5-6) 1.56 6.37 -96.54 3 2 2 21 184.327 3

Activity (Go SEA)

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