UCSF

ZINC77172888

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2012 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.54 11.07 -172.31 3 3 3 13 270.485 6
Hi High (pH 8-9.5) 2.54 6.62 -34.49 1 3 1 11 268.469 6
Mid Mid (pH 6-8) 2.54 8.84 -86.24 2 3 2 12 269.477 6
Mid Mid (pH 6-8) 2.54 8.83 -75.01 2 3 2 12 269.477 6

Activity (Go SEA)

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