UCSF

ZINC34950364

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 4.32 14.55 -14.42 0 5 0 52 470.544 10
Lo Low (pH 4.5-6) 4.32 14.61 -59.15 1 5 1 53 471.552 10

Activity (Go SEA)

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