UCSF

ZINC19366284

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) -0.19 1.25 -86.53 4 5 2 48 274.453 9
Hi High (pH 8-9.5) -0.19 -1.12 -40.64 3 5 1 47 273.445 9
Mid Mid (pH 6-8) -0.19 3.3 -169.31 5 5 3 49 275.461 9

Activity (Go SEA)

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