UCSF

ZINC20665013

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 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) 3.03 7.83 -17.69 0 10 0 122 477.539 11
Mid Mid (pH 6-8) 3.03 10.16 -62.06 1 10 1 123 478.547 11

Activity (Go SEA)

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