UCSF

ZINC05204132

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 28 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) 4.58 -2.61 -15.31 2 5 0 75 398.459 5
Hi High (pH 8-9.5) 4.58 -2.04 -41.13 1 5 -1 77 397.451 5

Activity (Go SEA)

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