UCSF

ZINC22644454

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 34 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) 3.66 9.59 -16.59 0 8 0 81 470.614 12
Mid Mid (pH 6-8) 3.66 11.92 -59.58 1 8 1 82 471.622 12

Activity (Go SEA)

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