UCSF

ZINC34929963

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 28 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) 4.65 9.59 -9.21 1 5 0 45 422.356 6
Mid Mid (pH 6-8) 4.65 11.85 -57.23 2 5 1 46 423.364 6

Activity (Go SEA)

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