UCSF

ZINC35510656

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 26 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) 3.70 11.09 -12.17 0 5 0 61 344.37 4
Lo Low (pH 4.5-6) 3.70 11.56 -44.22 1 5 1 62 345.378 4

Activity (Go SEA)

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