UCSF

ZINC16734412

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 No

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) 3.77 9.03 -13.32 1 7 0 89 445.471 9
Mid Mid (pH 6-8) 3.18 9.69 -18.84 0 7 0 86 445.471 9

Activity (Go SEA)

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