UCSF

ZINC20872701

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 30 Yes

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) 3.56 9.73 -49.33 4 6 1 80 410.538 10
Mid Mid (pH 6-8) 3.56 8.31 -17.29 3 6 0 75 409.53 10

Activity (Go SEA)

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