UCSF

ZINC43707398

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 14 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) -1.28 1.53 -102.96 4 5 2 59 203.286 4
Hi High (pH 8-9.5) -1.10 -3.27 -40.9 2 5 0 61 201.27 4
Hi High (pH 8-9.5) -1.28 0.18 -44.63 3 5 1 55 202.278 4
Mid Mid (pH 6-8) -1.10 -1.92 -61.32 3 5 1 66 202.278 4

Activity (Go SEA)

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