UCSF

ZINC31936437

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 26 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) 5.79 13.78 -13.34 0 3 0 42 337.426 3
Lo Low (pH 4.5-6) 5.79 14.2 -33.13 1 3 1 43 338.434 3

Activity (Go SEA)

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