UCSF

ZINC48841560

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 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) 2.03 4.73 -44.89 2 4 1 51 305.37 4
Hi High (pH 8-9.5) 2.03 4.63 -46.04 1 4 0 53 304.362 4
Hi High (pH 8-9.5) 2.03 2.51 -11.01 1 4 0 49 304.362 4

Activity (Go SEA)

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