UCSF

ZINC35075528

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 15 No

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) -0.47 -1.62 -47.84 5 5 1 88 211.241 3
Hi High (pH 8-9.5) -0.47 -1.19 -40.69 3 5 -1 90 209.225 3
Mid Mid (pH 6-8) -0.47 -1.92 -8.78 4 5 0 87 210.233 3

Activity (Go SEA)

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