UCSF

ZINC50027837

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 21 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) -0.99 2.7 -70.6 5 6 0 117 294.351 7
Hi High (pH 8-9.5) -0.99 2.38 -54.82 4 6 -1 115 293.343 7

Activity (Go SEA)

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