UCSF

ZINC67818568

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 24 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) 1.64 7.19 -41.83 2 6 1 73 328.392 6
Mid Mid (pH 6-8) 1.64 4.83 -13.01 1 6 0 71 327.384 6

Activity (Go SEA)

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