UCSF

ZINC37027562

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.36 5.6 -40.04 3 3 1 46 227.372 4
Hi High (pH 8-9.5) 3.36 4.17 -6.39 2 3 0 41 226.364 4

Activity (Go SEA)

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