UCSF

ZINC42351466

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 18 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) 2.52 5.48 -36.55 2 4 1 43 316.219 6
Hi High (pH 8-9.5) 2.52 3.76 -8.51 1 4 0 42 315.211 6

Activity (Go SEA)

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