UCSF

ZINC35086253

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.09 12.84 -30.42 1 6 0 75 469.01 5
Hi High (pH 8-9.5) 5.28 10.06 -66.46 0 6 -1 82 468.002 5

Activity (Go SEA)

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