UCSF

ZINC05392696

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 19 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) 2.81 5.46 -10.28 1 4 0 59 280.324 3
Hi High (pH 8-9.5) 2.81 5.5 -41.21 0 4 -1 61 279.316 3
Lo Low (pH 4.5-6) 2.81 5.63 -32.34 2 4 1 60 281.332 3

Activity (Go SEA)

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