UCSF

ZINC39911609

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 33 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) 5.02 8.8 -14.66 2 7 0 88 449.551 9
Hi High (pH 8-9.5) 5.02 9.93 -40.93 1 7 -1 91 448.543 9

Activity (Go SEA)

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