UCSF

ZINC45695537

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) -0.01 0.89 -44.04 3 5 1 65 250.359 12
Hi High (pH 8-9.5) -0.01 -0.48 -7.6 2 5 0 60 249.351 12

Activity (Go SEA)

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