UCSF

ZINC23319498

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 23 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) 2.66 8.3 -37.92 2 5 1 57 310.377 6
Mid Mid (pH 6-8) 2.66 7.86 -20.09 1 5 0 56 309.369 6

Activity (Go SEA)

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