UCSF

ZINC41584339

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.53 6.5 -12.1 1 8 0 86 480.561 10
Hi High (pH 8-9.5) 3.53 8.12 -49.45 0 8 -1 89 479.553 10
Mid Mid (pH 6-8) 3.53 9.53 -36.24 1 8 0 90 480.561 10
Mid Mid (pH 6-8) 3.53 8.78 -40.09 2 8 1 88 481.569 10

Activity (Go SEA)

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