UCSF

ZINC14249631

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 23 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) 2.19 6.07 -44.76 2 5 1 50 331.362 5
Hi High (pH 8-9.5) 2.19 4.09 -10.44 1 5 0 48 330.354 5

Activity (Go SEA)

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