UCSF

ZINC40124161

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 29 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) 4.76 8.62 -56.22 1 5 -1 78 390.459 8
Lo Low (pH 4.5-6) 4.76 7.86 -13.38 2 5 0 76 391.467 8

Activity (Go SEA)

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