UCSF

ZINC34991447

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 5.09 7.48 -46.38 3 3 1 46 345.301 9
Hi High (pH 8-9.5) 5.09 8.39 -59.6 2 3 0 49 344.293 9

Activity (Go SEA)

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