UCSF

ZINC34950433

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 3.62 5.69 -54.74 4 3 1 61 271.384 0
Hi High (pH 8-9.5) 3.62 5.66 -8.15 3 3 0 59 270.376 0

Activity (Go SEA)

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