UCSF

ZINC42690476

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 19 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) -0.16 4.31 -43.45 4 6 1 79 266.369 3
Mid Mid (pH 6-8) -0.16 4.37 -43.21 4 6 1 79 266.369 3
Lo Low (pH 4.5-6) -0.16 4.49 -81.47 5 6 2 81 267.377 3

Activity (Go SEA)

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