UCSF

ZINC43399721

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 No

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) -1.28 -0.4 -9.86 4 7 0 98 279.344 4
Mid Mid (pH 6-8) -1.28 0.03 -33.38 5 7 1 99 280.352 4
Mid Mid (pH 6-8) -1.28 1.89 -32.89 5 7 1 99 280.352 4
Lo Low (pH 4.5-6) -1.28 2.32 -87.05 6 7 2 101 281.36 4

Activity (Go SEA)

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