UCSF

ZINC37128850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 4.03 8.94 -41.26 2 2 1 29 287.452 5
Hi High (pH 8-9.5) 4.03 7.98 -3.81 1 2 0 25 286.444 5

Activity (Go SEA)

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