UCSF

ZINC38098037

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 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) 1.72 6.01 -86.05 3 4 2 37 290.455 4
Mid Mid (pH 6-8) 1.72 7.25 -71.28 3 4 2 34 290.455 4
Lo Low (pH 4.5-6) 1.72 8.26 -163 4 4 3 38 291.463 4

Activity (Go SEA)

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