UCSF

ZINC34945076

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) 3.50 9.37 -17.3 0 7 0 74 502.036 9
Mid Mid (pH 6-8) 3.50 11.58 -59.02 1 7 1 75 503.044 9

Activity (Go SEA)

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