UCSF

ZINC34991388

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 3.48 6.31 -44.39 2 3 1 35 339.2 9
Hi High (pH 8-9.5) 3.48 4.92 -5.63 1 3 0 30 338.192 9

Activity (Go SEA)

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