UCSF

ZINC34971182

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 4.89 12.89 -9.49 0 5 0 42 458.602 11
Mid Mid (pH 6-8) 4.89 15.16 -51.23 1 5 1 43 459.61 11

Activity (Go SEA)

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