UCSF

ZINC20898960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 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) 2.30 6.86 -14.02 3 7 0 88 388.493 6
Mid Mid (pH 6-8) 2.75 5.81 -52 2 7 -1 91 387.485 6

Activity (Go SEA)

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