UCSF

ZINC37044802

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.26 0.71 -73.29 4 7 0 110 246.274 4
Hi High (pH 8-9.5) 0.26 0.37 -52.92 3 7 -1 108 245.266 4
Lo Low (pH 4.5-6) 0.26 0.79 -51.93 5 7 1 111 247.282 4

Activity (Go SEA)

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