UCSF

ZINC31667744

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 30 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) 2.81 4.89 -48.35 2 8 -1 123 442.86 5
Lo Low (pH 4.5-6) 2.81 4.84 -19.74 3 8 0 121 443.868 5

Activity (Go SEA)

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