UCSF

ZINC41584802

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 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) 2.96 12.77 -49.06 2 8 1 103 479.553 7
Hi High (pH 8-9.5) 2.96 13.53 -39.06 1 8 0 106 478.545 7
Hi High (pH 8-9.5) 2.96 10.66 -20.95 1 8 0 102 478.545 7

Activity (Go SEA)

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