UCSF

ZINC39265312

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 34 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) 2.89 8.5 -19.51 1 9 0 93 496.515 7
Mid Mid (pH 6-8) 2.89 10.64 -56.82 2 9 1 94 497.523 7

Activity (Go SEA)

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