UCSF

ZINC34947717

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 3.26 11.16 -14.43 0 3 0 33 348.421 5
Lo Low (pH 4.5-6) 3.26 11.45 -36.03 1 3 1 34 349.429 5

Activity (Go SEA)

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