UCSF

ZINC52839599

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 21 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) 1.57 4.47 -7.45 2 5 0 71 303.749 4
Lo Low (pH 4.5-6) 1.57 4.93 -39.49 3 5 1 72 304.757 4

Activity (Go SEA)

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