UCSF

ZINC39816754

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 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) -4.32 -1.54 -119.97 5 9 -1 166 246.199 7
Hi High (pH 8-9.5) -4.32 -1.94 -108.14 4 9 -2 164 245.191 7
Lo Low (pH 4.5-6) -4.32 -3.59 -75.23 6 9 0 163 247.207 7
Lo Low (pH 4.5-6) -4.32 -3.55 -70.7 6 9 0 163 247.207 7

Activity (Go SEA)

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