UCSF

ZINC41540738

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 19 No

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) 2.04 6.56 -45.91 2 3 1 34 275.294 7
Hi High (pH 8-9.5) 2.23 4.41 -44.25 1 3 0 40 274.286 7

Activity (Go SEA)

Rings

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