UCSF

ZINC40109441

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 37 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) 5.54 13.64 -56.87 0 8 -1 115 503.506 10
Lo Low (pH 4.5-6) 5.54 12.88 -18.21 1 8 0 113 504.514 10

Activity (Go SEA)

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