UCSF

ZINC21664284

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 33 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) 2.79 6.88 -50.88 4 7 1 95 469.562 7
Hi High (pH 8-9.5) 2.79 6.96 -60.45 3 7 0 97 468.554 7
Hi High (pH 8-9.5) 2.79 5.55 -37.81 2 7 -1 93 467.546 7

Activity (Go SEA)

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