UCSF

ZINC04858330

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 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) 2.64 7.58 -26.73 2 5 0 71 313.332 4
Lo Low (pH 4.5-6) 2.64 7.34 -35.08 3 5 1 72 314.34 4

Activity (Go SEA)

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