UCSF

ZINC06636071

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2006 26 No

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) 4.75 8.31 -15.17 2 6 0 84 351.406 5
Hi High (pH 8-9.5) 4.75 9.31 -62.83 1 6 -1 87 350.398 5

Activity (Go SEA)

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