UCSF

ZINC42206875

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.80 3.98 -101.88 4 5 2 59 261.41 10
Hi High (pH 8-9.5) 0.80 2.81 -39.38 3 5 1 55 260.402 10

Activity (Go SEA)

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