UCSF

ZINC41668676

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) 5.62 8.98 -8.58 0 5 0 56 461.823 4
Lo Low (pH 4.5-6) 5.62 11.82 -48.87 1 5 1 57 462.831 4

Activity (Go SEA)

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