UCSF

ZINC48324782

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 24 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) 2.85 8.55 -35.09 3 4 1 46 327.448 7
Lo Low (pH 4.5-6) 2.85 8.42 -125.7 4 4 2 51 328.456 7

Activity (Go SEA)

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