UCSF

ZINC37792736

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) -0.90 4.89 -106.51 1 6 -2 109 229.232 7
Lo Low (pH 4.5-6) -0.90 2.28 -40.96 2 6 -1 107 230.24 7

Activity (Go SEA)

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