UCSF

ZINC47345727

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 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) 3.31 8.59 -17.14 1 5 0 58 324.837 4
Hi High (pH 8-9.5) 2.93 7.35 -52.66 0 5 -1 64 323.829 5

Activity (Go SEA)

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