UCSF

ZINC41669400

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.31 7.91 -18.33 0 8 0 80 487.508 5
Lo Low (pH 4.5-6) 4.31 10.76 -66.62 1 8 1 81 488.516 5

Activity (Go SEA)

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