UCSF

ZINC29463162

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 15 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) -0.81 1.56 -63.65 3 4 1 77 202.237 3
Hi High (pH 8-9.5) -0.81 1.25 -14.76 2 4 0 76 201.229 3

Activity (Go SEA)

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