UCSF

ZINC45703225

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 1.56 6.56 -82.85 1 6 0 82 320.436 8
Hi High (pH 8-9.5) 1.56 4.09 -62.02 0 6 -1 81 319.428 8

Activity (Go SEA)

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