UCSF

ZINC44648517

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 1.98 3.5 -50.45 3 5 1 72 274.344 6
Hi High (pH 8-9.5) 1.98 2.16 -14.83 2 5 0 67 273.336 6

Activity (Go SEA)

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