UCSF

ZINC41510752

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 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) 4.39 8.43 -36.95 2 5 1 60 341.431 7
Mid Mid (pH 6-8) 4.39 9.01 -24.33 1 5 0 63 340.423 7

Activity (Go SEA)

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