UCSF

ZINC31943462

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.16 10.46 -20.97 2 3 0 44 323.465 3
Mid Mid (pH 6-8) 4.16 10.87 -31.95 3 3 1 45 324.473 3

Activity (Go SEA)

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