UCSF

ZINC34683822

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.40 12.17 -42.59 1 4 1 42 401.596 7
Hi High (pH 8-9.5) 5.40 10.35 -8.66 0 4 0 41 400.588 7

Activity (Go SEA)

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