UCSF

ZINC48324504

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 19 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) 2.88 1.74 -10.75 2 5 0 75 345.635 5
Hi High (pH 8-9.5) 2.88 1.43 -42.14 1 5 -1 77 344.627 5

Activity (Go SEA)

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