UCSF

ZINC17217038

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 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) -1.25 -7.07 -26.17 5 8 0 131 267.241 2
Mid Mid (pH 6-8) -0.79 -8.17 -57.45 4 8 -1 135 266.233 2
Lo Low (pH 4.5-6) -0.57 -8.38 -63.27 5 8 1 130 268.249 2

Activity (Go SEA)

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