UCSF

ZINC40405762

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 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) 0.90 7.48 -115.12 4 4 2 50 296.846 6
Hi High (pH 8-9.5) 0.90 4.98 -5.11 2 4 0 47 294.83 6
Mid Mid (pH 6-8) 0.90 7.14 -47.24 3 4 1 48 295.838 6

Activity (Go SEA)

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