UCSF

ZINC35046106

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) 2.86 6.72 -46.45 2 5 1 61 280.344 7
Hi High (pH 8-9.5) 2.86 5.54 -8.73 1 5 0 57 279.336 7

Activity (Go SEA)

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