UCSF

ZINC45690040

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) 1.32 5.24 -39.39 2 3 1 33 222.356 7
Hi High (pH 8-9.5) 1.32 3.82 -2.82 1 3 0 28 221.348 7
Mid Mid (pH 6-8) 1.32 5.74 -36.94 2 3 1 29 222.356 7
Lo Low (pH 4.5-6) 1.32 6.2 -82.06 3 3 2 31 223.364 7

Activity (Go SEA)

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