UCSF

ZINC19903307

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 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) 2.86 5.78 -40.93 3 4 1 55 348.22 4
Hi High (pH 8-9.5) 3.05 3.99 -32.76 2 4 0 61 347.212 4
Mid Mid (pH 6-8) 2.86 4.48 -7.78 2 4 0 50 347.212 4

Activity (Go SEA)

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