UCSF

ZINC55385379

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 27 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) 0.22 1.78 -25.29 3 8 0 104 370.409 6
Mid Mid (pH 6-8) 0.22 4.06 -58.89 4 8 1 105 371.417 6

Activity (Go SEA)

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