UCSF

ZINC34549369

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 4.51 12.72 -47.54 1 4 1 40 340.443 7
Hi High (pH 8-9.5) 4.51 10.46 -8.51 0 4 0 39 339.435 7

Activity (Go SEA)

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