UCSF

ZINC41584289

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 7.38 13.91 -48.61 2 7 1 90 522.54 13
Hi High (pH 8-9.5) 7.38 11.46 -9.4 1 7 0 89 521.532 13
Hi High (pH 8-9.5) 7.38 14.5 -27.87 1 7 0 93 521.532 13

Activity (Go SEA)

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