UCSF

ZINC49236567

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 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) 0.77 3.57 -42.5 2 5 1 56 244.34 6
Hi High (pH 8-9.5) 1.33 0.6 -11.48 1 5 0 58 243.332 5
Mid Mid (pH 6-8) 0.59 2.98 -35.78 1 5 0 62 243.332 6

Activity (Go SEA)

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