UCSF

ZINC40109847

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.78 14.05 -56.82 0 5 -1 70 509.409 9
Lo Low (pH 4.5-6) 6.78 13.29 -11.66 1 5 0 67 510.417 9

Activity (Go SEA)

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