UCSF

ZINC26557876

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 25 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) 2.87 6.53 -16.66 2 7 0 97 364.471 9
Hi High (pH 8-9.5) 3.06 5.49 -44.15 1 7 -1 103 363.463 9

Activity (Go SEA)

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