UCSF

ZINC12081135

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 30 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) 4.91 9.84 -10.33 1 6 0 68 471.768 8
Hi High (pH 8-9.5) 5.09 8.31 -34.13 0 6 -1 74 470.76 8

Activity (Go SEA)

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