UCSF

ZINC40846080

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 28 No

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) 3.54 6.58 -13.21 3 8 0 109 403.46 7
Hi High (pH 8-9.5) 3.54 7.5 -44.86 2 8 -1 112 402.452 7

Activity (Go SEA)

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