UCSF

ZINC45694178

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) 1.01 2.08 -38.38 4 5 1 66 231.364 8
Hi High (pH 8-9.5) 1.01 -0.38 -4.71 3 5 0 65 230.356 8
Mid Mid (pH 6-8) 1.01 1.79 -39.91 4 5 1 66 231.364 8
Lo Low (pH 4.5-6) 1.01 4.25 -112.93 5 5 2 67 232.372 8

Activity (Go SEA)

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