UCSF

ZINC31913620

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 3.97 7.76 -13.41 1 4 0 47 310.397 4
Mid Mid (pH 6-8) 3.97 8.2 -27.35 2 4 1 48 311.405 4

Activity (Go SEA)

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