UCSF

ZINC41536766

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.09 4.24 -13.18 1 5 0 53 306.406 6
Lo Low (pH 4.5-6) 2.09 6.53 -47.87 2 5 1 54 307.414 6

Activity (Go SEA)

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