UCSF

ZINC22058340

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 31 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) 2.31 7.37 -67.92 1 7 -1 116 431.505 5
Lo Low (pH 4.5-6) 2.31 6.25 -27.3 2 7 0 113 432.513 5

Activity (Go SEA)

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