UCSF

ZINC35775385

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 4.26 10.2 -11.6 1 5 0 53 429.58 6
Lo Low (pH 4.5-6) 4.26 12.05 -47.91 2 5 1 54 430.588 6

Activity (Go SEA)

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