UCSF

ZINC15913213

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 33 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) 4.83 12.79 -13.56 1 6 0 73 433.515 4
Lo Low (pH 4.5-6) 4.83 13.07 -52.84 2 6 1 74 434.523 4

Activity (Go SEA)

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