UCSF

ZINC43898247

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 1.02 4.28 -115.21 3 5 2 49 286.416 3
Hi High (pH 8-9.5) 1.02 1.18 -3.72 1 5 0 43 284.4 3
Mid Mid (pH 6-8) 1.02 3.01 -35.13 2 5 1 44 285.408 3
Mid Mid (pH 6-8) 1.02 2.38 -37.48 2 5 1 48 285.408 3

Activity (Go SEA)

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