UCSF

ZINC02203482

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.25 7.24 -16.58 3 8 0 108 479.577 9
Hi High (pH 8-9.5) 4.02 7.73 -58.75 1 8 -1 107 478.569 9
Hi High (pH 8-9.5) 4.02 7.56 -51.83 1 8 -1 107 478.569 9
Hi High (pH 8-9.5) 4.25 8.13 -43.85 2 8 -1 111 478.569 9

Activity (Go SEA)

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