UCSF

ZINC19235131

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 19 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) 1.73 5.57 -40.64 2 4 1 37 262.377 4
Mid Mid (pH 6-8) 1.73 3.2 -8.48 1 4 0 36 261.369 4
Mid Mid (pH 6-8) 1.73 5.46 -41.59 2 4 1 37 262.377 4

Activity (Go SEA)

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