UCSF

ZINC20219476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 38 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) 4.25 12.43 -71.52 1 8 0 93 524.658 14
Lo Low (pH 4.5-6) 4.25 11.61 -48.65 2 8 1 90 525.666 14

Activity (Go SEA)

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