UCSF

ZINC34949972

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 4.22 10.31 -15.65 1 8 0 80 469.582 12
Mid Mid (pH 6-8) 4.22 12.57 -62.59 2 8 1 82 470.59 12

Activity (Go SEA)

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