UCSF

ZINC06417359

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 22 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) 2.02 7.98 -44.48 1 5 1 47 304.414 3
Lo Low (pH 4.5-6) 2.02 8.26 -103.45 2 5 2 48 305.422 3

Activity (Go SEA)

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