UCSF

ZINC29073667

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 27 Yes

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) 2.40 6.41 -17.18 1 5 0 51 376.403 7
Lo Low (pH 4.5-6) 2.40 8.76 -55.02 2 5 1 52 377.411 7

Activity (Go SEA)

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