UCSF

ZINC36637865

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 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) 6.03 12.32 -41.43 1 4 1 38 518.32 7
Hi High (pH 8-9.5) 6.03 10.09 -5.6 0 4 0 36 517.312 7

Activity (Go SEA)

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