UCSF

ZINC36154417

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 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) 3.32 8.37 -51.69 3 4 1 62 326.445 4
Hi High (pH 8-9.5) 3.78 6 -42 2 4 0 65 325.437 4
Hi High (pH 8-9.5) 3.32 7.08 -10.78 2 4 0 58 325.437 4

Activity (Go SEA)

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