UCSF

ZINC60228949

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 20 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) -2.81 -3.97 -273.85 12 6 4 129 292.468 10
Hi High (pH 8-9.5) -2.81 -4.43 -182.82 11 6 3 127 291.46 10

Activity (Go SEA)

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