UCSF

ZINC20760277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 22 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) 2.44 7.36 -166.09 5 5 3 68 306.43 8
Hi High (pH 8-9.5) 1.81 6.21 -63.77 3 5 1 62 304.414 9
Mid Mid (pH 6-8) 2.44 4.83 -92.63 4 5 2 67 305.422 8

Activity (Go SEA)

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