UCSF

ZINC52270727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 15 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) 2.79 7.87 -44.32 2 2 1 40 201.293 3
Hi High (pH 8-9.5) 2.79 6.9 -4.72 1 2 0 36 200.285 3

Activity (Go SEA)

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