UCSF

ZINC42324175

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 19 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) 3.03 6.94 -33.66 2 3 1 34 266.405 8
Hi High (pH 8-9.5) 3.03 4.64 -3.94 1 3 0 33 265.397 8

Activity (Go SEA)

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