UCSF

ZINC19512506

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 1.78 1.09 -10.19 3 4 0 72 228.317 3
Hi High (pH 8-9.5) 1.78 1.15 -41.61 2 4 -1 74 227.309 3

Activity (Go SEA)

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