UCSF

ZINC34435293

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 26 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) 5.22 13.46 -94.88 2 3 2 22 355.501 3
Hi High (pH 8-9.5) 5.22 10.96 -4.81 0 3 0 19 353.485 3
Mid Mid (pH 6-8) 5.22 13.18 -37.82 1 3 1 21 354.493 3
Mid Mid (pH 6-8) 5.22 11.23 -27.4 1 3 1 21 354.493 3

Activity (Go SEA)

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