UCSF

ZINC37115459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.17 6.22 -54.36 2 5 -1 81 346.16 3
Lo Low (pH 4.5-6) 3.17 4.21 -10.77 3 5 0 78 347.168 3

Activity (Go SEA)

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