UCSF

ZINC45695482

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) 0.34 1.18 -45.15 3 5 1 64 233.332 10
Hi High (pH 8-9.5) 0.34 -0.03 -9.18 2 5 0 60 232.324 10

Activity (Go SEA)

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