UCSF

ZINC43800832

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 20 Yes

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) -0.58 2.15 -100.28 4 6 2 63 286.42 4
Hi High (pH 8-9.5) -0.58 -1.54 -9.43 2 6 0 57 284.404 4
Hi High (pH 8-9.5) -0.58 -0.19 -51.64 3 6 1 61 285.412 4
Mid Mid (pH 6-8) -0.58 1.95 -105.51 4 6 2 63 286.42 4

Activity (Go SEA)

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