UCSF

ZINC39911655

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 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) 5.20 10.15 -17.85 2 8 0 97 507.631 11
Hi High (pH 8-9.5) 4.97 10.71 -48.48 0 8 -1 96 506.623 11
Hi High (pH 8-9.5) 4.97 10.42 -61.15 0 8 -1 96 506.623 11
Hi High (pH 8-9.5) 5.20 11.28 -43.32 1 8 -1 100 506.623 11

Activity (Go SEA)

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