UCSF

ZINC45696464

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 11 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) -1.19 2.9 -35.65 2 4 0 66 161.201 6
Hi High (pH 8-9.5) -1.19 1.56 -43.49 1 4 -1 61 160.193 6

Activity (Go SEA)

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