UCSF

ZINC22383814

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 30 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) 2.86 4.75 -35.19 3 7 0 104 427.457 6
Mid Mid (pH 6-8) 2.86 4.81 -75.49 2 7 -1 106 426.449 6

Activity (Go SEA)

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