UCSF

ZINC31780066

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 25 Yes

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) 0.72 4.7 -29.87 3 8 0 109 339.355 3
Lo Low (pH 4.5-6) 1.18 2.43 -23.5 3 8 0 109 339.355 3

Activity (Go SEA)

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