UCSF

ZINC37052261

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.61 6.75 -7.57 2 3 0 46 396.082 2
Mid Mid (pH 6-8) 1.61 7.06 -45.43 3 3 1 48 397.09 2

Activity (Go SEA)

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