UCSF

ZINC43702681

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 18 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) -0.60 3.99 -111.7 0 7 -2 106 250.21 2
Hi High (pH 8-9.5) -0.60 2 -71.22 1 7 -1 107 251.218 2
Mid Mid (pH 6-8) -0.60 2.98 -57.24 1 7 -1 103 251.218 2

Activity (Go SEA)

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