UCSF

ZINC42742148

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) -1.25 5.03 -46.5 1 7 1 63 294.379 3
Hi High (pH 8-9.5) -1.25 2.64 -13.68 0 7 0 62 293.371 3

Activity (Go SEA)

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