UCSF

ZINC41667833

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 6.11 9.82 -11.62 0 6 0 61 511.496 7
Lo Low (pH 4.5-6) 6.11 12.69 -50.03 1 6 1 62 512.504 7

Activity (Go SEA)

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