UCSF

ZINC34611473

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 37 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) 0.87 6.93 -12.34 4 11 0 172 525.595 9
Mid Mid (pH 6-8) 0.87 7.34 -54.82 5 11 1 173 526.603 9

Activity (Go SEA)

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