UCSF

ZINC31717975

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 26 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) 2.37 3.42 -18.43 2 7 0 84 352.394 6
Mid Mid (pH 6-8) 2.37 3.87 -50.35 3 7 1 85 353.402 6

Activity (Go SEA)

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