UCSF

ZINC47525458

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 21 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) 2.13 1.69 -17.74 4 5 0 92 304.733 4
Hi High (pH 8-9.5) 2.13 2.47 -48.88 3 5 -1 95 303.725 4

Activity (Go SEA)

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