UCSF

ZINC43447888

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 1.95 5.02 -35.95 2 4 1 51 232.344 10
Hi High (pH 8-9.5) 1.95 3.09 -7.61 1 4 0 50 231.336 10

Activity (Go SEA)

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