UCSF

ZINC33863582

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 34 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) 2.60 8.87 -22.88 2 8 0 101 480.59 11
Hi High (pH 8-9.5) 2.41 7.74 -55.82 1 8 -1 107 479.582 11

Activity (Go SEA)

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