UCSF

ZINC44675583

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 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) 3.90 10.33 -34.57 2 2 1 16 285.455 5
Mid Mid (pH 6-8) 3.90 9.15 -39.31 2 2 1 20 285.455 5
Lo Low (pH 4.5-6) 3.90 11.41 -107.37 3 2 2 21 286.463 5

Activity (Go SEA)

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