UCSF

ZINC37988779

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 14 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) 1.67 5.48 -38.13 2 2 1 26 212.338 5
Hi High (pH 8-9.5) 1.67 4.12 -3.92 1 2 0 21 211.33 5

Activity (Go SEA)

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