UCSF

ZINC37820821

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 1.18 -2.73 -45.87 6 8 1 129 287.34 6
Hi High (pH 8-9.5) 1.18 -3.08 -16.97 5 8 0 128 286.332 6

Activity (Go SEA)

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