UCSF

ZINC33877056

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 23 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) 1.92 5.93 -57.39 4 4 1 70 352.911 8
Hi High (pH 8-9.5) 1.92 5.64 -8.69 3 4 0 68 351.903 8

Activity (Go SEA)

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