UCSF

ZINC37994034

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) -1.18 1.58 -110.91 0 7 -2 109 237.215 4
Lo Low (pH 4.5-6) -1.63 3.41 -43.61 1 7 -1 106 238.223 4

Activity (Go SEA)

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