UCSF

ZINC41584082

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 No

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) 4.93 9.76 -47.95 2 5 1 64 404.433 8
Mid Mid (pH 6-8) 4.93 10.33 -31.99 1 5 0 67 403.425 8

Activity (Go SEA)

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