UCSF

ZINC51967105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 25 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) 0.63 3.89 -47.98 4 7 1 97 355.503 9
Hi High (pH 8-9.5) 0.63 2.17 -21.7 3 7 0 96 354.495 9

Activity (Go SEA)

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