UCSF

ZINC20224145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.49 8.12 -12.8 1 6 0 59 404.514 7
Lo Low (pH 4.5-6) 2.49 10.9 -89.63 3 6 2 62 406.53 7

Activity (Go SEA)

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