UCSF

ZINC20408292

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 5.06 11.47 -51.75 2 6 -1 98 463.579 5
Lo Low (pH 4.5-6) 5.06 10.35 -16.81 3 6 0 95 464.587 5

Activity (Go SEA)

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