UCSF

ZINC35683983

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 17 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) 3.82 8.29 -47.32 0 3 -1 53 228.271 4
Lo Low (pH 4.5-6) 3.82 8.6 -41.48 1 3 0 54 229.279 4

Activity (Go SEA)

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