UCSF

ZINC21756038

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 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) 5.58 7.78 -53.61 0 6 -1 86 496.055 5
Mid Mid (pH 6-8) 5.58 7.34 -16.58 1 6 0 84 497.063 5

Activity (Go SEA)

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