UCSF

ZINC36323998

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 21 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) 1.06 2.79 -46.32 4 6 1 78 300.354 9
Hi High (pH 8-9.5) 1.06 1.98 -12.39 3 6 0 77 299.346 9

Activity (Go SEA)

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