UCSF

ZINC31932915

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 17 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) 2.53 6.44 -58.45 3 3 1 45 232.351 3
Mid Mid (pH 6-8) 2.53 6.84 -94 4 3 2 46 233.359 3

Activity (Go SEA)

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