UCSF

ZINC22129922

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 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) 1.62 6.26 -42 0 4 -1 60 252.677 2
Lo Low (pH 4.5-6) 1.62 5.14 -10.43 1 4 0 58 253.685 2

Activity (Go SEA)

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