UCSF

ZINC31962611

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 Yes

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) -0.80 0.03 -55.25 5 6 1 93 253.326 7
Mid Mid (pH 6-8) -0.80 0.44 -86.62 6 6 2 94 254.334 7

Activity (Go SEA)

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