UCSF

ZINC29721113

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 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) 3.50 6.82 -10.55 0 5 0 42 409.313 5
Lo Low (pH 4.5-6) 3.50 9.02 -39.6 1 5 1 43 410.321 5

Activity (Go SEA)

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