UCSF

ZINC52217729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -2.04 3.43 -52.84 3 10 1 106 407.495 5
Hi High (pH 8-9.5) -2.04 1.26 -22.17 2 10 0 105 406.487 5

Activity (Go SEA)

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