UCSF

ZINC41655706

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 4.42 9.68 -12.25 0 7 0 78 457.482 6
Lo Low (pH 4.5-6) 4.42 12.49 -50.12 1 7 1 79 458.49 6

Activity (Go SEA)

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