UCSF

ZINC06826261

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2006 24 No

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) 3.55 5.15 -10.06 2 6 0 84 388.221 3
Hi High (pH 8-9.5) 4.01 3.42 -45.17 1 6 -1 87 387.213 3
Hi High (pH 8-9.5) 4.01 3.11 -55.92 1 6 -1 87 387.213 3

Activity (Go SEA)

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