UCSF

ZINC23290004

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 21 No

Download: MOL2 SDF SMILES Flexibase

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) 1.58 5 -54.39 1 4 1 42 309.455 3
Mid Mid (pH 6-8) 1.58 4.83 -50.34 1 4 1 42 309.455 3
Mid Mid (pH 6-8) 1.58 2.57 -11.47 0 4 0 41 308.447 3

Activity (Go SEA)

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