UCSF

ZINC37853437

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 13 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 1.78 -45.58 3 3 1 50 181.259 5
Hi High (pH 8-9.5) -0.01 0.43 -4.96 2 3 0 45 180.251 5

Activity (Go SEA)

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