UCSF

ZINC51951904

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 24 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) 2.38 7.88 -37.04 1 5 1 47 328.436 4
Lo Low (pH 4.5-6) 2.38 10.12 -100.83 2 5 2 48 329.444 4

Activity (Go SEA)

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