UCSF

ZINC39693854

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 30 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) 0.34 7.27 -97.54 4 7 2 74 415.582 4
Mid Mid (pH 6-8) 0.34 4.91 -50.99 3 7 1 72 414.574 4

Activity (Go SEA)

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