UCSF

ZINC41656004

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 5.76 11.15 -10.18 0 5 0 52 461.945 6
Lo Low (pH 4.5-6) 5.76 14.01 -57.91 1 5 1 53 462.953 6

Activity (Go SEA)

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