UCSF

ZINC33678583

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 30 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) 1.45 6.26 -24.56 2 8 0 101 430.53 10
Hi High (pH 8-9.5) 1.27 5.19 -54.66 1 8 -1 107 429.522 10

Activity (Go SEA)

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