UCSF

ZINC35512309

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 37 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) 4.51 15.29 -14.25 0 6 0 43 495.602 4
Mid Mid (pH 6-8) 4.51 15.76 -41.57 1 6 1 44 496.61 4

Activity (Go SEA)

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