UCSF

ZINC03566286

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 23 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) 4.34 -3.07 -8.58 1 5 0 68 354.859 5
Hi High (pH 8-9.5) 4.34 -2.51 -40.69 0 5 -1 70 353.851 5

Activity (Go SEA)

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