UCSF

ZINC05383900

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 27 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) 6.12 -1.28 -9.5 1 4 0 55 381.497 6
Hi High (pH 8-9.5) 6.12 -0.77 -46.33 0 4 -1 57 380.489 6

Activity (Go SEA)

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