UCSF

ZINC34883428

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) 1.23 6.87 -82.03 4 7 2 79 394.597 24
Hi High (pH 8-9.5) 1.23 5.46 -41.29 3 7 1 75 393.589 24

Activity (Go SEA)

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