UCSF

ZINC35258936

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 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) 1.59 7.44 -112.86 3 3 2 34 235.375 5
Mid Mid (pH 6-8) 1.59 5.59 -33.48 2 3 1 33 234.367 5
Mid Mid (pH 6-8) 1.59 6.37 -32.26 2 3 1 29 234.367 5
Lo Low (pH 4.5-6) 1.59 6.76 -84.1 3 3 2 31 235.375 5

Activity (Go SEA)

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