UCSF

ZINC20928637

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 22 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) 5.85 9.01 -5.41 1 2 0 21 379.114 6
Lo Low (pH 4.5-6) 5.85 10.42 -54.65 2 2 1 26 380.122 6

Activity (Go SEA)

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