UCSF

ZINC37039715

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) -1.78 1.64 -93.21 4 5 2 56 230.356 4
Hi High (pH 8-9.5) -1.78 1.25 -37.38 3 5 1 54 229.348 4

Activity (Go SEA)

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