UCSF

ZINC04158005

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 34 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) 7.10 16.86 -12.19 1 5 0 56 516.37 7
Lo Low (pH 4.5-6) 7.10 17.18 -28.49 2 5 1 57 517.378 7

Activity (Go SEA)

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