UCSF

ZINC22650466

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 30 Yes

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) 4.31 11.63 -17.52 1 6 0 72 406.482 6
Lo Low (pH 4.5-6) 4.49 10.04 -38.62 2 6 1 77 407.49 6

Activity (Go SEA)

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