UCSF

ZINC41668267

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 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) 5.99 10.25 -7.82 0 4 0 43 457.473 5
Lo Low (pH 4.5-6) 5.99 13.1 -51.22 1 4 1 44 458.481 5

Activity (Go SEA)

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