UCSF

ZINC20582765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 31 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) 7.07 14.25 -45.11 1 4 1 39 432.51 10
Mid Mid (pH 6-8) 7.07 11.91 -10.59 0 4 0 38 431.502 10

Activity (Go SEA)

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