UCSF

ZINC52305368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 27 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) -0.86 -1.67 -27.45 3 10 0 112 377.449 9
Lo Low (pH 4.5-6) -0.86 0.54 -55.17 4 10 1 113 378.457 9

Activity (Go SEA)

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