UCSF

ZINC12536013

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 32 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) 3.54 7.64 -53.94 3 7 1 89 454.572 9
Hi High (pH 8-9.5) 3.54 5.31 -54.74 1 7 -1 90 452.556 9
Mid Mid (pH 6-8) 3.54 5.11 -16.66 2 7 0 88 453.564 9
Mid Mid (pH 6-8) 3.54 7.75 -81.7 2 7 0 91 453.564 9

Activity (Go SEA)

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