UCSF

ZINC41586526

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) 4.34 10.6 -46.86 2 8 1 100 500.955 6
Hi High (pH 8-9.5) 4.34 9.13 -45.73 0 8 -1 101 498.939 6
Mid Mid (pH 6-8) 4.34 8.37 -11.93 1 8 0 98 499.947 6
Mid Mid (pH 6-8) 4.34 11.36 -30.28 1 8 0 102 499.947 6

Activity (Go SEA)

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