UCSF

ZINC33825152

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 38 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) 3.91 6.91 -57.15 5 10 1 108 527.69 14
Hi High (pH 8-9.5) 3.91 4.64 -18.72 4 10 0 107 526.682 14

Activity (Go SEA)

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