UCSF

ZINC37128103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 3.31 9.57 -44.32 2 2 1 26 300.447 4
Hi High (pH 8-9.5) 3.31 8.54 -6.09 1 2 0 21 299.439 4

Activity (Go SEA)

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