UCSF

ZINC35018343

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.44 8.14 -113.05 3 5 2 60 282.384 8
Hi High (pH 8-9.5) 1.44 6.79 -38.23 2 5 1 56 281.376 8
Mid Mid (pH 6-8) 1.44 5.69 -47.52 2 5 1 59 281.376 8

Activity (Go SEA)

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