UCSF

ZINC40893351

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 36 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) 5.32 7.96 -12.11 2 8 0 112 498.572 8
Mid Mid (pH 6-8) 5.32 9.77 -50.27 1 8 -1 114 497.564 8

Activity (Go SEA)

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