UCSF

ZINC37024243

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 2.68 4.43 -43.03 3 3 1 46 258.769 7
Hi High (pH 8-9.5) 2.68 3.02 -5.09 2 3 0 41 257.761 7

Activity (Go SEA)

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