UCSF

ZINC40922304

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 16 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) -0.58 0.83 -55.06 4 5 1 77 228.316 2
Hi High (pH 8-9.5) -0.58 0.51 -10.26 3 5 0 75 227.308 2

Activity (Go SEA)

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