UCSF

ZINC26161846

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 16 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) 1.81 4.03 -36.08 4 3 1 60 219.308 4
Mid Mid (pH 6-8) 1.81 2.91 -7.32 3 3 0 55 218.3 4

Activity (Go SEA)

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