UCSF

ZINC38907168

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 31 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) 4.53 10.87 -34.63 2 6 1 59 437.951 6
Hi High (pH 8-9.5) 4.53 10.53 -12.82 1 6 0 58 436.943 6
Mid Mid (pH 6-8) 4.53 13.09 -98.69 3 6 2 60 438.959 6
Mid Mid (pH 6-8) 4.53 12.75 -46.25 2 6 1 59 437.951 6

Activity (Go SEA)

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