UCSF

ZINC42592254

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 24 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) -0.12 5.4 -48.98 2 8 1 76 333.416 6
Hi High (pH 8-9.5) -0.12 3.12 -20.03 1 8 0 75 332.408 6

Activity (Go SEA)

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