UCSF

ZINC36732056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) 2.07 6.78 -103.76 4 2 2 32 212.381 6
Hi High (pH 8-9.5) 2.07 4.97 -41.56 3 2 1 31 211.373 6
Hi High (pH 8-9.5) 2.07 6.4 -31.76 3 2 1 30 211.373 6

Activity (Go SEA)

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