UCSF

ZINC20003564

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 4.89 8.01 -39.45 3 2 1 29 295.535 3
Hi High (pH 8-9.5) 4.89 7.92 -31.44 3 2 1 29 295.535 3
Mid Mid (pH 6-8) 4.89 9.03 -103.53 4 2 2 33 296.543 3

Activity (Go SEA)

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