UCSF

ZINC25532316

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 24 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) 4.87 10.71 -14.68 1 5 0 68 359.838 6
Mid Mid (pH 6-8) 4.87 10.53 -40.06 0 5 -1 66 358.83 6

Activity (Go SEA)

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