UCSF

ZINC43798974

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) -1.83 3.51 -115.15 3 7 2 71 286.376 3
Hi High (pH 8-9.5) -1.83 2.13 -54.39 2 7 1 66 285.368 3
Hi High (pH 8-9.5) -1.83 -0.26 -18.27 1 7 0 65 284.36 3

Activity (Go SEA)

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