UCSF

ZINC42165841

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 20 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) 2.28 1.49 -44.86 4 6 1 96 274.3 3
Hi High (pH 8-9.5) 2.42 -1.13 -73.23 3 6 0 99 273.292 3

Activity (Go SEA)

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