UCSF

ZINC33778348

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 18 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) 1.66 9.77 -36.69 1 3 0 45 267.756 4
Hi High (pH 8-9.5) 1.66 8.11 -50.27 0 3 -1 43 266.748 4

Activity (Go SEA)

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