UCSF

ZINC35558783

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 29 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) 3.93 9.77 -12.29 1 6 0 69 389.455 7
Mid Mid (pH 6-8) 3.93 10.25 -34.22 2 6 1 71 390.463 7

Activity (Go SEA)

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