UCSF

ZINC36127778

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 13 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) -0.12 -0.25 -51.13 4 4 1 60 188.295 6
Hi High (pH 8-9.5) -0.12 0.98 -34.77 4 4 1 60 188.295 6

Activity (Go SEA)

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