UCSF

ZINC39300869

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 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) 0.65 4.08 -16.02 5 10 0 137 430.509 8
Lo Low (pH 4.5-6) 0.65 4.47 -39.8 6 10 1 138 431.517 8

Activity (Go SEA)

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