UCSF

ZINC19537167

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 17 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) 1.91 6.07 -29.41 1 3 1 17 235.351 3
Hi High (pH 8-9.5) 1.91 4.21 -3.83 0 3 0 16 234.343 3
Mid Mid (pH 6-8) 1.91 8.44 -102.49 2 3 2 18 236.359 3

Activity (Go SEA)

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