UCSF

ZINC42375415

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 15 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) -0.53 -0.45 -48.14 3 6 1 79 231.301 3
Hi High (pH 8-9.5) -0.53 -0.6 -38.9 2 6 0 81 230.293 3
Hi High (pH 8-9.5) -0.53 -2.98 -11.18 2 6 0 78 230.293 3

Activity (Go SEA)

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