UCSF

ZINC11690906

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2008 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) 3.40 12.56 -22.5 0 9 0 104 446.463 6
Lo Low (pH 4.5-6) -0.51 13.89 -30.7 1 9 1 103 447.471 7

Activity (Go SEA)

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