UCSF

ZINC20057339

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 31 No

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) 1.94 5.01 -61.28 0 8 -1 95 425.461 8
Mid Mid (pH 6-8) 1.94 7.28 -68.63 1 8 0 96 426.469 8

Activity (Go SEA)

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