UCSF

ZINC36637857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 5.98 13.18 -48.39 1 4 1 38 512.291 7
Hi High (pH 8-9.5) 5.98 11.08 -8.36 0 4 0 36 511.283 7

Activity (Go SEA)

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