UCSF

ZINC54454968

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 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) 4.44 9.2 -16.16 2 6 0 71 389.455 8
Lo Low (pH 4.5-6) 4.44 8.88 -51.07 3 6 0 72 390.463 8

Activity (Go SEA)

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