UCSF

ZINC40126219

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 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) 4.55 8.9 -56.33 1 5 -1 78 463.307 6
Lo Low (pH 4.5-6) 4.55 8.13 -15.34 2 5 0 76 464.315 6

Activity (Go SEA)

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