UCSF

ZINC34591645

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 26 No

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) -0.25 -3.73 -20.04 3 12 0 181 373.297 8
Hi High (pH 8-9.5) 0.21 -6.46 -57.65 2 12 -1 184 372.289 8

Activity (Go SEA)

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