UCSF

ZINC20968094

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.64 12.82 -126.03 3 4 2 40 404.982 9
Hi High (pH 8-9.5) 4.64 11.52 -42.81 2 4 1 35 403.974 9
Lo Low (pH 4.5-6) 4.64 10.41 -50.85 2 4 1 38 403.974 9

Activity (Go SEA)

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