UCSF

ZINC22135469

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 4.23 7.87 -46.17 0 7 -1 93 517.299 6
Lo Low (pH 4.5-6) 3.77 9.64 -13.09 1 7 0 90 518.307 6

Activity (Go SEA)

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