UCSF

ZINC21818471

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 5.87 9.19 -30.06 2 2 1 20 283.524 4
Hi High (pH 8-9.5) 5.87 10.67 -32.05 2 2 1 16 283.524 4
Mid Mid (pH 6-8) 5.87 11.33 -110.44 3 2 2 21 284.532 4

Activity (Go SEA)

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