UCSF

ZINC29912113

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 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) 4.75 9.48 -39.44 2 3 1 34 357.088 5
Hi High (pH 8-9.5) 4.75 7.88 -4.26 1 3 0 32 356.08 5
Hi High (pH 8-9.5) 4.57 8.86 -19.47 1 3 0 40 356.08 5

Activity (Go SEA)

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