UCSF

ZINC21755983

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 33 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) 5.80 8.79 -49.9 0 6 -1 86 508.016 5
Mid Mid (pH 6-8) 5.80 8.34 -14.86 1 6 0 84 509.024 5

Activity (Go SEA)

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