UCSF

ZINC41584264

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 7.92 13.45 -44.18 2 4 1 55 482.95 10
Hi High (pH 8-9.5) 7.92 14.1 -25.11 1 4 0 58 481.942 10

Activity (Go SEA)

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