UCSF

ZINC20212022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 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) 4.33 9.02 -16.97 1 6 0 71 467.997 7
Lo Low (pH 4.5-6) 4.33 9.78 -32.47 2 6 1 73 469.005 7

Activity (Go SEA)

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