UCSF

ZINC68837322

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2011 33 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) 4.38 8.06 -16.9 1 6 0 78 472.513 5
Hi High (pH 8-9.5) 4.38 8.86 -56.18 0 6 -1 81 471.505 5

Activity (Go SEA)

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