UCSF

ZINC06585331

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 21 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) -1.69 -2.49 -22.88 5 9 0 139 303.225 2
Hi High (pH 8-9.5) -1.69 -1.96 -55.16 4 9 -1 142 302.217 2

Activity (Go SEA)

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