UCSF

ZINC41584265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 6.17 11.36 -50.35 2 5 1 64 410.534 10
Hi High (pH 8-9.5) 6.17 12.05 -35 1 5 0 67 409.526 10

Activity (Go SEA)

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