UCSF

ZINC49857550

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 16 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) 0.51 0.91 -35.32 3 5 1 63 233.332 9
Hi High (pH 8-9.5) 0.51 -1.09 -8.68 2 5 0 62 232.324 9

Activity (Go SEA)

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