UCSF

ZINC60219398

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 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) 2.73 7.68 -27.94 2 3 1 38 307.417 3
Mid Mid (pH 6-8) 2.73 6.34 -4.41 1 3 0 36 306.409 3
Lo Low (pH 4.5-6) 2.73 8.14 -93.51 3 3 2 39 308.425 3

Activity (Go SEA)

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