UCSF

ZINC22276010

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 36 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) 3.62 11.11 -54.18 1 8 0 93 496.604 12
Hi High (pH 8-9.5) 3.62 8.91 -45.27 0 8 -1 91 495.596 12

Activity (Go SEA)

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