UCSF

ZINC20219585

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 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) 1.32 9.18 -69.62 1 9 0 124 410.43 8
Lo Low (pH 4.5-6) 1.32 8.35 -55.2 2 9 1 121 411.438 8

Activity (Go SEA)

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