UCSF

ZINC41685049

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 3.57 6.96 -41.84 1 4 1 42 384.747 7
Hi High (pH 8-9.5) 3.57 4.47 -6.62 0 4 0 41 383.739 7

Activity (Go SEA)

Rings

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