UCSF

ZINC42557799

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 3.68 10.33 -49.9 0 3 -1 43 266.748 5
Lo Low (pH 4.5-6) 3.68 10.05 -41.61 1 3 0 45 267.756 5

Activity (Go SEA)

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