UCSF

ZINC36787645

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 3.42 9.79 -57.68 1 4 0 54 265.353 7
Hi High (pH 8-9.5) 3.42 7.83 -58.58 0 4 -1 53 264.345 7

Activity (Go SEA)

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