UCSF

ZINC44648265

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 3.57 6.13 -45.42 3 4 1 55 350.664 7
Hi High (pH 8-9.5) 3.57 4.78 -5.9 2 4 0 50 349.656 7

Activity (Go SEA)

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