UCSF

ZINC62592207

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 44 No

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) -4.44 -5.55 -170.71 7 21 -2 317 664.414 11
Hi High (pH 8-9.5) -4.09 -7.63 -227.46 6 21 -3 320 663.406 11
Mid Mid (pH 6-8) -5.72 -5.21 -178.71 7 21 -1 317 665.422 11

Activity (Go SEA)

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