UCSF

ZINC33595781

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 34 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) 5.69 11.59 -24.97 1 8 0 94 488.654 12
Hi High (pH 8-9.5) 5.88 10.52 -50.88 0 8 -1 100 487.646 12

Activity (Go SEA)

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