UCSF

ZINC40126747

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 33 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) 4.12 9.16 -56.55 1 8 -1 124 443.435 7
Lo Low (pH 4.5-6) 4.12 8.39 -13.62 2 8 0 121 444.443 7

Activity (Go SEA)

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