UCSF

ZINC34577851

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.33 7.82 -8.88 1 5 0 72 407.454 12
Hi High (pH 8-9.5) 5.33 8.72 -44.18 0 5 -1 75 406.446 12

Activity (Go SEA)

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