UCSF

ZINC13281536

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 8.27 14.72 -53.69 2 3 1 38 514.439 11
Lo Low (pH 4.5-6) 8.27 14.91 -108.65 3 3 2 39 515.447 11

Activity (Go SEA)

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