UCSF

ZINC59345212

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 18 No

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) 4.81 8.51 -117.36 4 2 2 32 258.494 11
Mid Mid (pH 6-8) 4.81 8.14 -29.42 3 2 1 30 257.486 11
Mid Mid (pH 6-8) 4.81 6.67 -40.68 3 2 1 31 257.486 11

Activity (Go SEA)

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