UCSF

ZINC37792727

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -1.01 4.49 -113.98 1 6 -2 109 237.211 4
Lo Low (pH 4.5-6) -1.01 2.45 -45.96 2 6 -1 107 238.219 4

Activity (Go SEA)

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