UCSF

ZINC41584732

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) 3.88 11.84 -60.33 2 7 1 86 485.56 4
Hi High (pH 8-9.5) 3.88 10.28 -46.26 0 7 -1 88 483.544 4
Mid Mid (pH 6-8) 3.88 9.7 -21.5 1 7 0 85 484.552 4
Mid Mid (pH 6-8) 3.88 12.42 -34.97 1 7 0 89 484.552 4

Activity (Go SEA)

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