UCSF

ZINC37822226

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.41 -0.25 -39.1 5 6 1 104 265.337 6
Hi High (pH 8-9.5) -0.41 -0.56 -10.43 4 6 0 102 264.329 6
Lo Low (pH 4.5-6) -0.41 0.21 -96.32 6 6 2 105 266.345 6

Activity (Go SEA)

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