UCSF

ZINC41667555

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) 5.85 9.91 -13.99 0 5 0 52 468.336 4
Lo Low (pH 4.5-6) 5.85 12.66 -55.3 1 5 1 53 469.344 4

Activity (Go SEA)

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