UCSF

ZINC35583642

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 19 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) 5.58 10.91 -43.75 2 1 1 17 294.871 7
Hi High (pH 8-9.5) 5.58 9.69 -3.48 1 1 0 12 293.863 7

Activity (Go SEA)

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