UCSF

ZINC28284403

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 27 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) 5.47 11.83 -13.22 1 4 0 51 449.345 5
Hi High (pH 8-9.5) 5.66 10.76 -40.45 0 4 -1 58 448.337 5

Activity (Go SEA)

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