UCSF

ZINC69147350

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 21 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) 1.92 3.74 -7.18 2 6 0 71 295.383 5
Mid Mid (pH 6-8) 1.92 6.09 -40.72 3 6 1 72 296.391 5

Activity (Go SEA)

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