UCSF

ZINC34950291

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 4.96 15.19 -95.34 2 8 0 101 519.001 6
Hi High (pH 8-9.5) 4.96 12.95 -62.55 1 8 -1 99 517.993 6

Activity (Go SEA)

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