UCSF

ZINC42869557

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 1.63 2.46 -34.61 3 3 1 44 226.369 5
Mid Mid (pH 6-8) 1.63 4.31 -109.24 4 3 2 45 227.377 5
Mid Mid (pH 6-8) 1.63 4.08 -34.06 3 3 1 43 226.369 5

Activity (Go SEA)

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