UCSF

ZINC33875127

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 35 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) 2.93 7.78 -36.89 1 10 0 124 509.569 5
Hi High (pH 8-9.5) 3.11 5.36 -75.19 0 10 -1 130 508.561 5

Activity (Go SEA)

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