UCSF

ZINC31919317

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) -1.28 0.14 -14.73 4 6 0 99 317.267 4
Lo Low (pH 4.5-6) -1.28 0.43 -63.22 5 6 1 100 318.275 4

Activity (Go SEA)

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