UCSF

ZINC35687214

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 20 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) 1.16 6.7 -43.28 1 5 0 57 278.352 6
Hi High (pH 8-9.5) 1.16 4.43 -45.72 0 5 -1 56 277.344 6

Activity (Go SEA)

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