UCSF

ZINC36147461

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.45 7.42 -102.54 3 3 2 30 296.842 1
Hi High (pH 8-9.5) 3.45 5.98 -38.54 2 3 1 26 295.834 1

Activity (Go SEA)

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