UCSF

ZINC01508195

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 36 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) 5.80 7.85 -26.63 3 7 0 113 484.504 10
Hi High (pH 8-9.5) 5.80 9.68 -111.86 1 7 -2 119 482.488 10
Hi High (pH 8-9.5) 5.80 8.65 -64.45 2 7 -1 116 483.496 10

Activity (Go SEA)

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