UCSF

ZINC35724392

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 29 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) 4.50 8.29 -17.14 3 7 0 96 409.515 7
Hi High (pH 8-9.5) 4.68 6.43 -46.86 2 7 -1 102 408.507 7

Activity (Go SEA)

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