UCSF

ZINC41420278

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 19 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) 1.30 5.99 -39.39 2 4 1 46 280.417 5
Hi High (pH 8-9.5) 1.30 3.76 -8.27 1 4 0 45 279.409 5

Activity (Go SEA)

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