UCSF

ZINC22024929

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 31 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) 3.19 6.44 -21.41 2 8 0 107 461.565 9
Mid Mid (pH 6-8) 3.19 6.51 -46.14 1 8 -1 109 460.557 9

Activity (Go SEA)

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