UCSF

ZINC05383930

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 25 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) 3.20 10.34 -8.35 3 8 0 95 344.419 6
Lo Low (pH 4.5-6) 3.20 10.11 -28.2 4 8 1 97 345.427 6
Lo Low (pH 4.5-6) 3.20 10.82 -28.44 4 8 1 97 345.427 6

Activity (Go SEA)

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