UCSF

ZINC33846339

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 18 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) 2.24 4.57 -14.92 3 6 0 98 247.302 5
Hi High (pH 8-9.5) 2.70 2.43 -49.25 2 6 -1 101 246.294 5

Activity (Go SEA)

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