UCSF

ZINC40046739

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 26 No

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) 1.02 2.18 -62.75 2 7 -1 114 356.354 6
Lo Low (pH 4.5-6) 1.02 1.42 -15.51 3 7 0 111 357.362 6

Activity (Go SEA)

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