UCSF

ZINC41585681

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 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) 6.24 12.37 -53.64 2 6 1 67 526.44 5
Hi High (pH 8-9.5) 6.24 10.92 -38.53 0 6 -1 69 524.424 5
Mid Mid (pH 6-8) 6.24 10.16 -8.7 1 6 0 66 525.432 5
Mid Mid (pH 6-8) 6.24 13.14 -31.27 1 6 0 70 525.432 5

Activity (Go SEA)

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