UCSF

ZINC06786016

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 26 No

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) 2.57 7 -57.93 0 6 -1 83 374.8 7
Mid Mid (pH 6-8) 3.01 0.52 -20.39 1 6 0 79 375.808 6

Activity (Go SEA)

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