UCSF

ZINC21704762

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 32 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) 3.46 6.81 -27.63 1 8 0 96 471.608 7
Hi High (pH 8-9.5) 3.28 5.86 -52.18 0 8 -1 102 470.6 7
Lo Low (pH 4.5-6) 3.46 9.14 -71.98 2 8 1 97 472.616 7

Activity (Go SEA)

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