UCSF

ZINC11838802

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 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) 3.16 1.82 -59.09 1 7 1 75 448.543 8
Lo Low (pH 4.5-6) 3.16 1.96 -94.87 2 7 2 76 449.551 8

Activity (Go SEA)

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