UCSF

ZINC41584803

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 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) 3.32 13.47 -48.85 2 8 1 103 493.58 7
Hi High (pH 8-9.5) 3.32 11.37 -20.9 1 8 0 102 492.572 7
Hi High (pH 8-9.5) 3.32 14.24 -39.21 1 8 0 106 492.572 7

Activity (Go SEA)

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