UCSF

ZINC50956360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2010 20 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) 1.50 4.42 -46.11 3 5 1 70 292.746 2
Hi High (pH 8-9.5) 1.50 4.01 -12.68 2 5 0 68 291.738 2

Activity (Go SEA)

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