UCSF

ZINC41731175

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) -0.50 5.7 -29.94 2 3 0 57 181.235 3
Hi High (pH 8-9.5) -0.50 4.5 -47.8 1 3 -1 52 180.227 3

Activity (Go SEA)

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