UCSF

ZINC34952153

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 4.93 10.24 -7.48 1 5 0 45 431.527 7
Mid Mid (pH 6-8) 4.93 12.49 -51.83 2 5 1 46 432.535 7

Activity (Go SEA)

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