UCSF

ZINC43639884

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 17 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) 5.42 9.01 -35.44 2 1 1 17 396.193 4
Mid Mid (pH 6-8) 5.42 8.14 -1.73 1 1 0 12 395.185 4

Activity (Go SEA)

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