UCSF

ZINC03652121

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 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) 0.17 7.36 -31.29 3 4 0 73 260.337 4
Hi High (pH 8-9.5) 0.17 7.02 -48.89 2 4 -1 71 259.329 4

Activity (Go SEA)

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