UCSF

ZINC27890973

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.04 9.85 -17.36 1 5 0 53 401.51 5
Lo Low (pH 4.5-6) 4.04 12.02 -52.54 2 5 1 54 402.518 5

Activity (Go SEA)

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