UCSF

ZINC41652146

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 22 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) 2.33 4.07 -8.65 0 5 0 52 303.358 4
Lo Low (pH 4.5-6) 2.33 6.93 -46.14 1 5 1 53 304.366 4

Activity (Go SEA)

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