UCSF

ZINC15779392

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 30 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) 2.73 9.78 -42.65 1 7 1 55 412.558 7
Mid Mid (pH 6-8) 2.73 7.31 -10.59 0 7 0 54 411.55 7

Activity (Go SEA)

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