UCSF

ZINC31894802

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 16 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) 2.12 4.4 -47.63 3 3 1 44 236.364 4
Hi High (pH 8-9.5) 2.12 4.01 -7.51 2 3 0 42 235.356 4

Activity (Go SEA)

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