UCSF

ZINC22726648

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 20 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) 4.14 9.23 -44.87 0 5 -1 81 289.698 3
Lo Low (pH 4.5-6) 4.14 9.32 -24.34 1 5 0 83 290.706 3

Activity (Go SEA)

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