UCSF

ZINC39301500

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 Yes

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) 3.83 8.47 -14.26 5 9 0 123 422.489 10
Mid Mid (pH 6-8) 3.83 8.52 -37.14 6 9 1 125 423.497 10
Mid Mid (pH 6-8) 3.83 8.43 -35.97 6 9 1 125 423.497 10

Activity (Go SEA)

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