UCSF

ZINC46878740

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2010 23 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) 3.43 9.82 -10.31 1 4 0 45 313.376 3
Lo Low (pH 4.5-6) 3.43 10.28 -40.7 2 4 1 46 314.384 3

Activity (Go SEA)

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