UCSF

ZINC33870131

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.48 9.67 -18.57 1 7 0 75 418.497 8
Lo Low (pH 4.5-6) 3.48 10.02 -49.37 2 7 1 76 419.505 8

Activity (Go SEA)

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