UCSF

ZINC29237896

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 27 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) 4.45 6.96 -19.34 3 6 0 87 379.441 4
Hi High (pH 8-9.5) 3.97 7.06 -129.63 1 6 -2 96 377.425 4
Mid Mid (pH 6-8) 4.45 7.98 -59.45 2 6 -1 90 378.433 4

Activity (Go SEA)

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