UCSF

ZINC34591658

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 33 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) 2.18 0.27 -19.56 4 12 0 169 467.406 9
Mid Mid (pH 6-8) 2.63 -0.89 -69.77 3 12 -1 172 466.398 9

Activity (Go SEA)

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