UCSF

ZINC34932073

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 4.96 11.07 -8.83 2 6 0 65 521.459 6
Lo Low (pH 4.5-6) 4.96 12.86 -45.03 3 6 1 66 522.467 6

Activity (Go SEA)

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