UCSF

ZINC03899344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2005 24 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) 3.54 7.1 -15.48 1 5 0 64 355.444 3
Hi High (pH 8-9.5) 3.61 5.46 -48.25 0 5 -1 70 354.436 3

Activity (Go SEA)

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