UCSF

ZINC36199077

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.66 11.77 -36.78 1 3 1 31 312.861 9
Hi High (pH 8-9.5) 4.66 9.79 -7.57 0 3 0 30 311.853 9

Activity (Go SEA)

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