UCSF

ZINC36367389

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 38 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) 3.68 11.77 -16.79 3 8 0 117 510.546 6
Mid Mid (pH 6-8) 3.68 12.08 -61.98 4 8 1 118 511.554 6

Activity (Go SEA)

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