UCSF

ZINC04844673

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2006 20 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) 3.08 -3.52 -10.92 1 5 0 68 312.778 5
Hi High (pH 8-9.5) 3.08 -2.95 -38.88 0 5 -1 70 311.77 5

Activity (Go SEA)

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