UCSF

ZINC11755324

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2008 14 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) -1.13 -4.65 -48.86 4 4 1 70 194.258 5
Lo Low (pH 4.5-6) -1.13 -4.54 -90.25 5 4 2 71 195.266 5

Activity (Go SEA)

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