UCSF

ZINC69698002

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 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) 2.49 8.56 -34.86 1 3 1 22 234.367 3
Hi High (pH 8-9.5) 2.49 6.69 -5.07 0 3 0 21 233.359 3

Activity (Go SEA)

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