UCSF

ZINC46598381

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2010 26 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) 1.73 8.7 -42.11 1 6 1 48 367.558 7
Lo Low (pH 4.5-6) 1.73 9.05 -41.73 1 6 1 48 367.558 7
Lo Low (pH 4.5-6) 1.73 10.91 -118.86 2 6 2 49 368.566 7

Activity (Go SEA)

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