UCSF

ZINC39911567

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) 5.15 8.74 -17.23 3 8 0 108 507.631 12
Hi High (pH 8-9.5) 4.92 9.29 -47.86 1 8 -1 107 506.623 12
Hi High (pH 8-9.5) 4.92 8.98 -59.49 1 8 -1 107 506.623 12
Hi High (pH 8-9.5) 5.15 9.84 -42.64 2 8 -1 111 506.623 12

Activity (Go SEA)

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