UCSF

ZINC42752065

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 22 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) 2.34 6.23 -40.69 2 4 1 37 328.839 6
Hi High (pH 8-9.5) 2.34 6.12 -42.5 2 4 1 37 328.839 6
Hi High (pH 8-9.5) 2.34 3.86 -10.7 1 4 0 36 327.831 6

Activity (Go SEA)

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