UCSF

ZINC20478564

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 27 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) 2.53 9.22 -17.92 1 5 0 41 404.967 9
Lo Low (pH 4.5-6) 2.53 11.99 -106.08 3 5 2 43 406.983 9

Activity (Go SEA)

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