UCSF

ZINC21794530

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 2.97 6.16 -39.28 3 4 1 46 312.865 8
Hi High (pH 8-9.5) 2.97 4.09 -9.17 2 4 0 44 311.857 8
Mid Mid (pH 6-8) 2.97 5.48 -50.03 3 4 1 49 312.865 8
Mid Mid (pH 6-8) 2.97 7.55 -122.46 4 4 2 50 313.873 8

Activity (Go SEA)

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