UCSF

ZINC39696740

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 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) 1.16 4.63 -51 3 7 1 78 467.993 4
Mid Mid (pH 6-8) 1.16 7.06 -103.56 4 7 2 80 469.001 4

Activity (Go SEA)

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