UCSF

ZINC53342476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 29 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) 2.28 8.23 -21.45 2 7 0 89 392.459 5
Lo Low (pH 4.5-6) 2.28 9.44 -42.45 3 7 1 90 393.467 5

Activity (Go SEA)

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