UCSF

ZINC34678565

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 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) 1.27 7.94 -53.59 3 9 1 101 455.583 9
Hi High (pH 8-9.5) 1.46 5.59 -45.55 2 9 0 107 454.575 9

Activity (Go SEA)

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