UCSF

ZINC43411773

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.34 3.14 -81.73 1 7 -1 96 306.408 6
Hi High (pH 8-9.5) 0.34 1.25 -48.31 1 7 -1 93 306.408 6
Mid Mid (pH 6-8) 0.34 3.46 -67.37 2 7 0 94 307.416 6

Activity (Go SEA)

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